ChemDiv1_003531
TL;DR: ChemDiv1_003531 (CAS 371945-52-7) is a chemical compound with molecular formula C29H27N3O4 and molecular weight 481.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-(4-nitrophenyl)-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003531, 3,3-DIMETHYL-11-(4-NITROPHENYL)-10-(2-PHENYLACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 1-[1-hydroxy-3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-phenylethanone, 3,3-dimethyl-11-(4-nitrophenyl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9,9-dimethyl-6-(4-nitrophenyl)-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C29H27N3O4 |
|---|---|
| Molecular Weight | 481.20 g/mol |
| LogP | 5.9805 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.20016 |
| Heavy Atoms | 36 |
| Complexity | 1377.143 |
Chemical Identifiers
| CAS Number | 371945-52-7 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
ChemDiv1_003531 (CAS 371945-52-7), with molecular formula C29H27N3O4 and molecular weight 481.20 g/mol. IUPAC: 9,9-dimethyl-6-(4-nitrophenyl)-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003531
Property Insights of ChemDiv1_003531
The XLogP value of 5.9805 indicates that ChemDiv1_003531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003531. Following Lipinski's Rule of Five, ChemDiv1_003531 has 1 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_003531?
The CAS number of ChemDiv1_003531 is 371945-52-7.
What is the molecular formula of ChemDiv1_003531?
The molecular formula of ChemDiv1_003531 is C29H27N3O4.
What is the molecular weight of ChemDiv1_003531?
The molecular weight of ChemDiv1_003531 is 481.20 g/mol.
Where can I buy ChemDiv1_003531?
You can request a quote for ChemDiv1_003531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003531?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.