BAS 02169967
TL;DR: BAS 02169967 (CAS 312622-71-2) is a chemical compound with molecular formula C29H30N2O3 and molecular weight 454.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxy-3-phenylmethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02169967, BIM-0041825.P001, 11-[3-(benzyloxy)-4-methoxyphenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-methoxy-3-phenylmethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 6-(3-benzyloxy-4-methoxy-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C29H30N2O3 |
|---|---|
| Molecular Weight | 454.23 g/mol |
| LogP | 6.4961 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.22565 |
| Heavy Atoms | 34 |
| Complexity | 1247.2404 |
Chemical Identifiers
| CAS Number | 312622-71-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)OCC5=CC=CC=C5)C(=O)C1)C |
Product Overview
BAS 02169967 (CAS 312622-71-2), with molecular formula C29H30N2O3 and molecular weight 454.23 g/mol. IUPAC: 6-(4-methoxy-3-phenylmethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02169967
Property Insights of BAS 02169967
The XLogP value of 6.4961 indicates that BAS 02169967 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, BAS 02169967 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02169967 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02169967?
The CAS number of BAS 02169967 is 312622-71-2.
What is the molecular formula of BAS 02169967?
The molecular formula of BAS 02169967 is C29H30N2O3.
What is the molecular weight of BAS 02169967?
The molecular weight of BAS 02169967 is 454.23 g/mol.
Where can I buy BAS 02169967?
You can request a quote for BAS 02169967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02169967?
Yes, KEHONG BIO provides custom synthesis services for BAS 02169967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.