ChemDiv1_006134
TL;DR: ChemDiv1_006134 (CAS 297159-50-3) is a chemical compound with molecular formula C31H28N2O3 and molecular weight 476.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-6-naphthalen-1-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_006134, MixCom6_002490, BAS 04377791, BIM-0047652.P001, 3-(3,4-DIMETHOXYPHENYL)-11-(1-NAPHTHYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C31H28N2O3 |
|---|---|
| Molecular Weight | 476.21 g/mol |
| LogP | 6.8365 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.21 |
| Heavy Atoms | 36 |
| Complexity | 1501.7351 |
Chemical Identifiers
| CAS Number | 297159-50-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CC6=CC=CC=C65)C(=O)C2)OC |
Product Overview
ChemDiv1_006134 (CAS 297159-50-3), with molecular formula C31H28N2O3 and molecular weight 476.21 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-naphthalen-1-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_006134
Property Insights of ChemDiv1_006134
The XLogP value of 6.8365 indicates that ChemDiv1_006134 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, ChemDiv1_006134 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006134 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 ChemDiv1_006134?
The CAS number of ChemDiv1_006134 is 297159-50-3.
What is the molecular formula of ChemDiv1_006134?
The molecular formula of ChemDiv1_006134 is C31H28N2O3.
What is the molecular weight of ChemDiv1_006134?
The molecular weight of ChemDiv1_006134 is 476.21 g/mol.
Where can I buy ChemDiv1_006134?
You can request a quote for ChemDiv1_006134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006134?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.