BAS 00312805
TL;DR: BAS 00312805 (CAS 305331-97-9) is a chemical compound with molecular formula C21H15BrN4 and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(4-bromoanilino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: BAS 00312805, BRD-K93130636-001-01-8, 11-((4-bromophenyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 11-[(4-bromophenyl)amino]-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[1, 2-d]pyridine-4-carbonitrile, 11-[(4-bromophenyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C21H15BrN4 |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 5.35398 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.048 |
| Heavy Atoms | 26 |
| Complexity | 1199.1074 |
Chemical Identifiers
| CAS Number | 305331-97-9 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=C(C=C5)Br)C#N |
Product Overview
BAS 00312805 (CAS 305331-97-9), with molecular formula C21H15BrN4 and molecular weight 402.05 g/mol. IUPAC: 16-(4-bromoanilino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of BAS 00312805
Property Insights of BAS 00312805
The XLogP value of 5.35398 indicates that BAS 00312805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, BAS 00312805 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00312805 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00312805?
The CAS number of BAS 00312805 is 305331-97-9.
What is the molecular formula of BAS 00312805?
The molecular formula of BAS 00312805 is C21H15BrN4.
What is the molecular weight of BAS 00312805?
The molecular weight of BAS 00312805 is 402.05 g/mol.
Where can I buy BAS 00312805?
You can request a quote for BAS 00312805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00312805?
Yes, KEHONG BIO provides custom synthesis services for BAS 00312805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.