Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 1134776-39-8 | MDL No. : | MFCD09832182 |
Formula : | C9H12ClNO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | GNWOFSYSPMCLJU-FYZOBXCZSA-N |
M.W : | 201.65 | Pubchem ID : | 67395329 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.22 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 52.85 |
TPSA : | 63.32 Ų |
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) : | -7.75 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | -0.31 |
Log Po/w (WLOGP) : | 1.88 |
Log Po/w (MLOGP) : | 1.67 |
Log Po/w (SILICOS-IT) : | 0.99 |
Consensus Log Po/w : | 0.85 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.1 |
Solubility : | 15.9 mg/ml ; 0.0786 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.56 |
Solubility : | 55.6 mg/ml ; 0.276 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.84 |
Solubility : | 2.92 mg/ml ; 0.0145 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.49 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* 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.
[ 222714-33-2 ]
(S)-4-(1-Aminoethyl)benzoic acid
Similarity: 0.98
[ 1236353-78-8 ]
(R)-Methyl 3-(1-aminoethyl)benzoate hydrochloride
Similarity: 0.90
[ 847728-91-0 ]
(S)-Methyl 4-(1-aminoethyl)benzoate hydrochloride
Similarity: 0.90
[ 1391439-19-2 ]
(S)-Methyl 3-(1-aminoethyl)benzoate hydrochloride
Similarity: 0.90
[ 222714-33-2 ]
(S)-4-(1-Aminoethyl)benzoic acid
Similarity: 0.98
[ 1236353-78-8 ]
(R)-Methyl 3-(1-aminoethyl)benzoate hydrochloride
Similarity: 0.90
[ 847728-91-0 ]
(S)-Methyl 4-(1-aminoethyl)benzoate hydrochloride
Similarity: 0.90
[ 1391439-19-2 ]
(S)-Methyl 3-(1-aminoethyl)benzoate hydrochloride
Similarity: 0.90
[ 222714-33-2 ]
(S)-4-(1-Aminoethyl)benzoic acid
Similarity: 0.98
[ 876-03-9 ]
3-(Aminomethyl)benzoic acid hydrochloride
Similarity: 0.89
[ 185963-32-0 ]
3,5-Bis(aminomethyl)benzoic acid dihydrochloride
Similarity: 0.89
[ 220247-71-2 ]
1,2,3,4-Tetrahydroisoquinoline-7-carboxylic acid hydrochloride
Similarity: 0.83