ChemDiv1_003571
TL;DR: ChemDiv1_003571 (CAS 371955-75-8) is a chemical compound with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-(5-nitrothiophen-2-yl)-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003571, BAS 01257251, 11-{5-nitro-2-thienyl}-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9,9-dimethyl-6-(5-nitrothiophen-2-yl)-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 1-[1-hydroxy-3,3-dimethyl-11-(5-nitrothiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-phenylethanone
| Molecular Formula | C27H25N3O4S |
|---|---|
| Molecular Weight | 487.16 g/mol |
| LogP | 6.042 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.1566 |
| Heavy Atoms | 35 |
| Complexity | 1359.5106 |
Chemical Identifiers
| CAS Number | 371955-75-8 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC=C(S5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
ChemDiv1_003571 (CAS 371955-75-8), with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol. IUPAC: 9,9-dimethyl-6-(5-nitrothiophen-2-yl)-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003571
Property Insights of ChemDiv1_003571
The XLogP value of 6.042 indicates that ChemDiv1_003571 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_003571. Following Lipinski's Rule of Five, ChemDiv1_003571 has 1 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 ChemDiv1_003571?
The CAS number of ChemDiv1_003571 is 371955-75-8.
What is the molecular formula of ChemDiv1_003571?
The molecular formula of ChemDiv1_003571 is C27H25N3O4S.
What is the molecular weight of ChemDiv1_003571?
The molecular weight of ChemDiv1_003571 is 487.16 g/mol.
Where can I buy ChemDiv1_003571?
You can request a quote for ChemDiv1_003571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003571?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.