BAS 01296417
TL;DR: BAS 01296417 (CAS 330559-02-9) is a chemical compound with molecular formula C26H22BrClN2O2 and molecular weight 508.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-bromo-2-methoxyphenyl)-9-(4-chlorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01296417, 11-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(5-bromo-2-methoxyphenyl)-9-(4-chlorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(5-bromo-2-methoxyphenyl)-14-(4-chlorophenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one, 11-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-2,3,4-trihydro-5H,10H,11H-benz o[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C26H22BrClN2O2 |
|---|---|
| Molecular Weight | 508.06 g/mol |
| LogP | 7.0906 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 508.05533 |
| Heavy Atoms | 32 |
| Complexity | 1222.7515 |
Chemical Identifiers
| CAS Number | 330559-02-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2 |
Product Overview
BAS 01296417 (CAS 330559-02-9), with molecular formula C26H22BrClN2O2 and molecular weight 508.06 g/mol. IUPAC: 6-(5-bromo-2-methoxyphenyl)-9-(4-chlorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01296417
Property Insights of BAS 01296417
The XLogP value of 7.0906 indicates that BAS 01296417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, BAS 01296417 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01296417 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01296417?
The CAS number of BAS 01296417 is 330559-02-9.
What is the molecular formula of BAS 01296417?
The molecular formula of BAS 01296417 is C26H22BrClN2O2.
What is the molecular weight of BAS 01296417?
The molecular weight of BAS 01296417 is 508.06 g/mol.
Where can I buy BAS 01296417?
You can request a quote for BAS 01296417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01296417?
Yes, KEHONG BIO provides custom synthesis services for BAS 01296417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.