ChemDiv1_006176
TL;DR: ChemDiv1_006176 (CAS 297159-35-4) is a chemical compound with molecular formula C27H25N3O5 and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-ethoxy-4-hydroxy-5-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_006176, A2333/0098445, 11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(3-ethoxy-4-hydroxy-5-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(3-ETHOXY-4-HYDROXY-5-NITROPHENYL)-14-PHENYL-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE
| Molecular Formula | C27H25N3O5 |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 5.6786 |
| Topological Polar Surface Area | 113.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1794 |
| Heavy Atoms | 35 |
| Complexity | 1335.8983 |
Chemical Identifiers
| CAS Number | 297159-35-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2 |
Product Overview
ChemDiv1_006176 (CAS 297159-35-4), with molecular formula C27H25N3O5 and molecular weight 471.18 g/mol. IUPAC: 6-(3-ethoxy-4-hydroxy-5-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_006176
Property Insights of ChemDiv1_006176
The XLogP value of 5.6786 indicates that ChemDiv1_006176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006176. Following Lipinski's Rule of Five, ChemDiv1_006176 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006176?
The CAS number of ChemDiv1_006176 is 297159-35-4.
What is the molecular formula of ChemDiv1_006176?
The molecular formula of ChemDiv1_006176 is C27H25N3O5.
What is the molecular weight of ChemDiv1_006176?
The molecular weight of ChemDiv1_006176 is 471.18 g/mol.
Where can I buy ChemDiv1_006176?
You can request a quote for ChemDiv1_006176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006176?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.