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) ]} | {[ 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. : | 229180-34-1 | MDL No. : | MFCD12922593 |
Formula : | C6H2BrClF2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | STPUUBCHYCYFBQ-UHFFFAOYSA-N |
M.W : | 227.43 | Pubchem ID : | 50998379 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 39.07 |
TPSA : | 0.0 Ų |
GI absorption : | Low |
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) : | -5.24 cm/s |
Log Po/w (iLOGP) : | 2.2 |
Log Po/w (XLOGP3) : | 3.44 |
Log Po/w (WLOGP) : | 4.22 |
Log Po/w (MLOGP) : | 4.48 |
Log Po/w (SILICOS-IT) : | 4.02 |
Consensus Log Po/w : | 3.67 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.86 |
Solubility : | 0.0313 mg/ml ; 0.000138 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.12 |
Solubility : | 0.172 mg/ml ; 0.000757 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.43 |
Solubility : | 0.00843 mg/ml ; 0.0000371 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.85 |
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: |
![]() |
[ 914636-89-8 ]
1-Bromo-5-chloro-2,4-difluorobenzene
Similarity: 1.00
[ 201849-13-0 ]
1-Bromo-3-chloro-2,4-difluorobenzene
Similarity: 1.00
[ 24812-13-3 ]
1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene
Similarity: 0.97
[ 1807166-24-0 ]
1-Chloro-3,5-dibromo-2,4-difluorobenzene
Similarity: 0.97
[ 144584-65-6 ]
1-Bromo-3-chloro-2-fluorobenzene
Similarity: 0.97
[ 914636-89-8 ]
1-Bromo-5-chloro-2,4-difluorobenzene
Similarity: 1.00
[ 201849-13-0 ]
1-Bromo-3-chloro-2,4-difluorobenzene
Similarity: 1.00
[ 24812-13-3 ]
1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene
Similarity: 0.97
[ 1807166-24-0 ]
1-Chloro-3,5-dibromo-2,4-difluorobenzene
Similarity: 0.97
[ 144584-65-6 ]
1-Bromo-3-chloro-2-fluorobenzene
Similarity: 0.97
[ 914636-89-8 ]
1-Bromo-5-chloro-2,4-difluorobenzene
Similarity: 1.00
[ 201849-13-0 ]
1-Bromo-3-chloro-2,4-difluorobenzene
Similarity: 1.00
[ 24812-13-3 ]
1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene
Similarity: 0.97
[ 1807166-24-0 ]
1-Chloro-3,5-dibromo-2,4-difluorobenzene
Similarity: 0.97
[ 144584-65-6 ]
1-Bromo-3-chloro-2-fluorobenzene
Similarity: 0.97
[ 914636-89-8 ]
1-Bromo-5-chloro-2,4-difluorobenzene
Similarity: 1.00
[ 201849-13-0 ]
1-Bromo-3-chloro-2,4-difluorobenzene
Similarity: 1.00
[ 24812-13-3 ]
1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene
Similarity: 0.97
[ 1807166-24-0 ]
1-Chloro-3,5-dibromo-2,4-difluorobenzene
Similarity: 0.97
[ 144584-65-6 ]
1-Bromo-3-chloro-2-fluorobenzene
Similarity: 0.97