MixCom6_002620
TL;DR: MixCom6_002620 (CAS 292064-74-5) is a chemical compound with molecular formula C26H21N3O4 and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-6-(4-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: MixCom6_002620, BAS 02508967, BIM-0047631.P001, 2-benzoyl-6-(4-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(4-nitrophenyl)-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C26H21N3O4 |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 5.4116 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.1532 |
| Heavy Atoms | 33 |
| Complexity | 1296.8721 |
Chemical Identifiers
| CAS Number | 292064-74-5 |
|---|---|
| SMILES | C1CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C1 |
Product Overview
MixCom6_002620 (CAS 292064-74-5), with molecular formula C26H21N3O4 and molecular weight 439.15 g/mol. IUPAC: 2-benzoyl-6-(4-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of MixCom6_002620
Property Insights of MixCom6_002620
The XLogP value of 5.4116 indicates that MixCom6_002620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002620. Following Lipinski's Rule of Five, MixCom6_002620 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_002620?
The CAS number of MixCom6_002620 is 292064-74-5.
What is the molecular formula of MixCom6_002620?
The molecular formula of MixCom6_002620 is C26H21N3O4.
What is the molecular weight of MixCom6_002620?
The molecular weight of MixCom6_002620 is 439.15 g/mol.
Where can I buy MixCom6_002620?
You can request a quote for MixCom6_002620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002620?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.