Home Cart 0 Sign in  

[ CAS No. 3778-73-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 3778-73-2
Chemical Structure| 3778-73-2
Structure of 3778-73-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 3778-73-2 ]

Related Doc. of [ 3778-73-2 ]

Alternatived Products of [ 3778-73-2 ]

Product Details of [ 3778-73-2 ]

CAS No. :3778-73-2 MDL No. :MFCD00057374
Formula : C7H15Cl2N2O2P Boiling Point : -
Linear Structure Formula :- InChI Key :HOMGKSMUEGBAAB-UHFFFAOYSA-N
M.W : 261.09 Pubchem ID :3690
Synonyms :
Isophosphamide;NSC109724;Ifosfamidum.;Ifex;US brand names: Cyfos;Naxamide;Isoendoxan;iphosphamide;Iphosphamid;Ifomide

Calculated chemistry of [ 3778-73-2 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 62.6
TPSA : 51.38 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) : -7.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.08
Log Po/w (XLOGP3) : 0.86
Log Po/w (WLOGP) : 1.5
Log Po/w (MLOGP) : 0.97
Log Po/w (SILICOS-IT) : 1.13
Consensus Log Po/w : 1.31

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.67
Solubility : 5.58 mg/ml ; 0.0214 mol/l
Class : Very soluble
Log S (Ali) : -1.52
Solubility : 7.84 mg/ml ; 0.03 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.71
Solubility : 0.508 mg/ml ; 0.00195 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.62

Safety of [ 3778-73-2 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P280-P305+P351+P338-P308+P313 UN#:2811
Hazard Statements:H301-H319-H340-H350-H360 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3778-73-2 ]

* 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 [ 3778-73-2 ]
  • Downstream synthetic route of [ 3778-73-2 ]

[ 3778-73-2 ] Synthesis Path-Upstream   1~13

  • 1
  • [ 29102-47-4 ]
  • [ 3778-73-2 ]
YieldReaction ConditionsOperation in experiment
78% With hydrogenchloride In chloroform EXAMPLE V
2-(2-chloroethylamino)-2-oxo-3-(2-chloroethyl)-1.3.2-oxazaphosphorinane
Into the stirred solution of 2-ethyleneimino-2-oxo-3-(2-chloroethyl)-1.3.2-oxazaphosphorinane (1.12 g, 5.0 mM) in chloroform (12 ml) was added at room temperature dropwise 3percent aq. solution of hydrogen chloride (6 mL, 5.0 mM).
Stirring was continued for 15 min, organic layer separated and aquous layer extracted with chloroform (2*6 mL).
Organic layers were combined together, dried over anhydrous MgSO4.
Removal of solvent under reduced pressure left a residue which upon crystallization from ether-n-pentane gave 1.02 g of crystalline product, mp. 45°-46° C. in 78percent yield. δ31P =11.3 ppm (CHCl3).
Mass spectrum m/e: 262 (0.3percent), 260 (0.3percent), 260 (0.8percent), 213 (37percent), 211 (100percent).
Reference: [1] Patent: US4684742, 1987, A,
  • 2
  • [ 72578-61-1 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
[2] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
[3] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
[4] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
  • 3
  • [ 72578-68-8 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
[2] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
  • 4
  • [ 72578-67-7 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
[2] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
  • 5
  • [ 81485-04-3 ]
  • [ 3778-73-2 ]
Reference: [1] Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, 1997, vol. 52, # 8, p. 943 - 946
[2] Journal of Medicinal Chemistry, 1983, vol. 26, # 5, p. 674 - 679
  • 6
  • [ 31190-87-1 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of Medicinal Chemistry, 1983, vol. 26, # 5, p. 674 - 679
  • 7
  • [ 84681-43-6 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of Medicinal Chemistry, 1983, vol. 26, # 5, p. 674 - 679
  • 8
  • [ 36761-83-8 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
[2] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
  • 9
  • [ 72578-72-4 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
  • 10
  • [ 72578-71-3 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of the American Chemical Society, 1979, vol. 101, p. 7712 - 7718
  • 11
  • [ 84681-45-8 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of Medicinal Chemistry, 1983, vol. 26, # 5, p. 674 - 679
  • 12
  • [ 83802-21-5 ]
  • [ 3778-73-2 ]
Reference: [1] Journal of Medicinal Chemistry, 1983, vol. 26, # 5, p. 674 - 679
  • 13
  • [ 195966-73-5 ]
  • [ 3778-73-2 ]
Reference: [1] Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, 1997, vol. 52, # 8, p. 943 - 946
Same Skeleton Products
Historical Records