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. : | 2095432-67-8 | MDL No. : | MFCD30749354 |
Formula : | C7H8BrCl2N | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KANQVPGFNZKJMR-UHFFFAOYSA-N |
M.W : | 256.96 | Pubchem ID : | 129896597 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.14 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 53.79 |
TPSA : | 26.02 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.49 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 3.35 |
Log Po/w (WLOGP) : | 3.21 |
Log Po/w (MLOGP) : | 3.17 |
Log Po/w (SILICOS-IT) : | 2.75 |
Consensus Log Po/w : | 2.5 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.88 |
Solubility : | 0.0338 mg/ml ; 0.000131 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.57 |
Solubility : | 0.0685 mg/ml ; 0.000267 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.92 |
Solubility : | 0.031 mg/ml ; 0.000121 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 1.46 |
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: |
[ 1810074-64-6 ]
(S)-1-(4-Bromo-3-chlorophenyl)ethanamine hydrochloride
Similarity: 0.91
[ 2048273-70-5 ]
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
Similarity: 0.85
[ 97329-43-6 ]
1-Bromo-2-chloro-3-methylbenzene
Similarity: 0.80
[ 30273-47-3 ]
4-Bromo-5-chloro-2-methylaniline
Similarity: 0.79
[ 1810074-64-6 ]
(S)-1-(4-Bromo-3-chlorophenyl)ethanamine hydrochloride
Similarity: 0.91
[ 2048273-70-5 ]
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
Similarity: 0.85
[ 97329-43-6 ]
1-Bromo-2-chloro-3-methylbenzene
Similarity: 0.80
[ 30273-47-3 ]
4-Bromo-5-chloro-2-methylaniline
Similarity: 0.79
[ 1810074-64-6 ]
(S)-1-(4-Bromo-3-chlorophenyl)ethanamine hydrochloride
Similarity: 0.91
[ 2048273-70-5 ]
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
Similarity: 0.85
[ 97329-43-6 ]
1-Bromo-2-chloro-3-methylbenzene
Similarity: 0.80
[ 30273-47-3 ]
4-Bromo-5-chloro-2-methylaniline
Similarity: 0.79
[ 1810074-64-6 ]
(S)-1-(4-Bromo-3-chlorophenyl)ethanamine hydrochloride
Similarity: 0.91
[ 2048273-70-5 ]
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
Similarity: 0.85
[ 30273-47-3 ]
4-Bromo-5-chloro-2-methylaniline
Similarity: 0.79