BAS 01404010
TL;DR: BAS 01404010 (CAS 298686-05-2) is a chemical compound with molecular formula C31H26N2O2 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-phenoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01404010, SDCCGSBI-0658243.P001, 11-(3-phenoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(3-phenoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, A2133/0089562
| Molecular Formula | C31H26N2O2 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 7.4584 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.19943 |
| Heavy Atoms | 35 |
| Complexity | 1395.9391 |
Chemical Identifiers
| CAS Number | 298686-05-2 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC(=CC=C4)OC5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
BAS 01404010 (CAS 298686-05-2), with molecular formula C31H26N2O2 and molecular weight 458.20 g/mol. IUPAC: 6-(3-phenoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01404010
Property Insights of BAS 01404010
The XLogP value of 7.4584 indicates that BAS 01404010 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 01404010 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01404010 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 01404010?
The CAS number of BAS 01404010 is 298686-05-2.
What is the molecular formula of BAS 01404010?
The molecular formula of BAS 01404010 is C31H26N2O2.
What is the molecular weight of BAS 01404010?
The molecular weight of BAS 01404010 is 458.20 g/mol.
Where can I buy BAS 01404010?
You can request a quote for BAS 01404010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404010?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.