MixCom6_002616
TL;DR: MixCom6_002616 (CAS 347350-58-7) is a chemical compound with molecular formula C25H20ClN3O3 and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chloro-3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: MixCom6_002616, BIM-0047619.P001, A2413/0102299, 11-(4-chloro-3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-chloro-3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C25H20ClN3O3 |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 6.2277 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.11932 |
| Heavy Atoms | 32 |
| Complexity | 1256.2968 |
Chemical Identifiers
| CAS Number | 347350-58-7 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
MixCom6_002616 (CAS 347350-58-7), with molecular formula C25H20ClN3O3 and molecular weight 445.12 g/mol. IUPAC: 6-(4-chloro-3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of MixCom6_002616
Property Insights of MixCom6_002616
The XLogP value of 6.2277 indicates that MixCom6_002616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002616. Following Lipinski's Rule of Five, MixCom6_002616 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 MixCom6_002616?
The CAS number of MixCom6_002616 is 347350-58-7.
What is the molecular formula of MixCom6_002616?
The molecular formula of MixCom6_002616 is C25H20ClN3O3.
What is the molecular weight of MixCom6_002616?
The molecular weight of MixCom6_002616 is 445.12 g/mol.
Where can I buy MixCom6_002616?
You can request a quote for MixCom6_002616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002616?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.