Home Cart 0 Sign in  

[ CAS No. 635-93-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 635-93-8
Chemical Structure| 635-93-8
Structure of 635-93-8 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 635-93-8 ]

Related Doc. of [ 635-93-8 ]

Alternatived Products of [ 635-93-8 ]
Product Citations

Product Details of [ 635-93-8 ]

CAS No. :635-93-8 MDL No. :MFCD00003331
Formula : C7H5ClO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :FUGKCSRLAQKUHG-UHFFFAOYSA-N
M.W : 156.57 Pubchem ID :12481
Synonyms :

Calculated chemistry of [ 635-93-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.86
TPSA : 37.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.27
Log Po/w (XLOGP3) : 1.52
Log Po/w (WLOGP) : 1.86
Log Po/w (MLOGP) : 1.39
Log Po/w (SILICOS-IT) : 2.14
Consensus Log Po/w : 1.64

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.15
Solubility : 1.12 mg/ml ; 0.00714 mol/l
Class : Soluble
Log S (Ali) : -1.91
Solubility : 1.92 mg/ml ; 0.0123 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.37
Solubility : 0.663 mg/ml ; 0.00424 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 635-93-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 635-93-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 635-93-8 ]
  • Downstream synthetic route of [ 635-93-8 ]

[ 635-93-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 635-93-8 ]
  • [ 83823-06-7 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982, vol. 21, # 4, p. 344 - 347
[2] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982, vol. 21, # 4, p. 344 - 347
[3] Archiv der Pharmazie, 2012, vol. 345, # 10, p. 767 - 770
[4] RSC Advances, 2014, vol. 4, # 102, p. 58397 - 58403
[5] Bioorganic and Medicinal Chemistry, 2019, vol. 27, # 7, p. 1382 - 1390
Recommend Products
Same Skeleton Products

Technical Information

• Acidity of Phenols • Alkyl Halide Occurrence • Barbier Coupling Reaction • Baylis-Hillman Reaction • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Bucherer-Bergs Reaction • Chan-Lam Coupling Reaction • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Chaykovsky Reaction • Corey-Fuchs Reaction • Electrophilic Substitution of the Phenol Aromatic Ring • Etherification Reaction of Phenolic Hydroxyl Group • Fischer Indole Synthesis • Friedel-Crafts Reaction • General Reactivity • Grignard Reaction • Halogenation of Phenols • Hantzsch Dihydropyridine Synthesis • Henry Nitroaldol Reaction • Hiyama Cross-Coupling Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Hydrogenolysis of Benzyl Ether • Julia-Kocienski Olefination • Kinetics of Alkyl Halides • Knoevenagel Condensation • Kumada Cross-Coupling Reaction • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mukaiyama Aldol Reaction • Nozaki-Hiyama-Kishi Reaction • Oxidation of Phenols • Passerini Reaction • Paternò-Büchi Reaction • Pechmann Coumarin Synthesis • Petasis Reaction • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reformatsky Reaction • Reimer-Tiemann Reaction • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Stetter Reaction • Stille Coupling • Stobbe Condensation • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Tebbe Olefination • Ugi Reaction • Vilsmeier-Haack Reaction • Wittig Reaction • Wolff-Kishner Reduction
Historical Records

Related Functional Groups of
[ 635-93-8 ]

Aryls

Chemical Structure| 3328-68-5

[ 3328-68-5 ]

5-Chloro-2-hydroxy-4-methylbenzaldehyde

Similarity: 0.96

Chemical Structure| 18362-30-6

[ 18362-30-6 ]

2-Chloro-6-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 90-60-8

[ 90-60-8 ]

3,5-Dichloro-2-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 78443-72-8

[ 78443-72-8 ]

2,4-Dichloro-6-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 7035-09-8

[ 7035-09-8 ]

5-Chloro-2-methoxybenzaldehyde

Similarity: 0.90

Chlorides

Chemical Structure| 3328-68-5

[ 3328-68-5 ]

5-Chloro-2-hydroxy-4-methylbenzaldehyde

Similarity: 0.96

Chemical Structure| 18362-30-6

[ 18362-30-6 ]

2-Chloro-6-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 90-60-8

[ 90-60-8 ]

3,5-Dichloro-2-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 78443-72-8

[ 78443-72-8 ]

2,4-Dichloro-6-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 7035-09-8

[ 7035-09-8 ]

5-Chloro-2-methoxybenzaldehyde

Similarity: 0.90

Aldehydes

Chemical Structure| 3328-68-5

[ 3328-68-5 ]

5-Chloro-2-hydroxy-4-methylbenzaldehyde

Similarity: 0.96

Chemical Structure| 18362-30-6

[ 18362-30-6 ]

2-Chloro-6-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 90-60-8

[ 90-60-8 ]

3,5-Dichloro-2-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 78443-72-8

[ 78443-72-8 ]

2,4-Dichloro-6-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 7035-09-8

[ 7035-09-8 ]

5-Chloro-2-methoxybenzaldehyde

Similarity: 0.90

; ;