ChemDiv1_003527
TL;DR: ChemDiv1_003527 (CAS 362500-44-5) is a chemical compound with molecular formula C26H23N3O4S and molecular weight 473.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-9,9-dimethyl-6-(5-nitrothiophen-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003527, 10-benzoyl-11-{5-nitro-2-thienyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-benzoyl-9,9-dimethyl-6-(5-nitrothiophen-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 10-BENZOYL-3,3-DIMETHYL-11-(5-NITRO-2-THIENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 10-benzoyl-3,3-dimethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C26H23N3O4S |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 6.1131 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.14093 |
| Heavy Atoms | 34 |
| Complexity | 1342.8403 |
Chemical Identifiers
| CAS Number | 362500-44-5 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=C(S5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
ChemDiv1_003527 (CAS 362500-44-5), with molecular formula C26H23N3O4S and molecular weight 473.14 g/mol. IUPAC: 5-benzoyl-9,9-dimethyl-6-(5-nitrothiophen-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003527
Property Insights of ChemDiv1_003527
The XLogP value of 6.1131 indicates that ChemDiv1_003527 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_003527. Following Lipinski's Rule of Five, ChemDiv1_003527 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_003527?
The CAS number of ChemDiv1_003527 is 362500-44-5.
What is the molecular formula of ChemDiv1_003527?
The molecular formula of ChemDiv1_003527 is C26H23N3O4S.
What is the molecular weight of ChemDiv1_003527?
The molecular weight of ChemDiv1_003527 is 473.14 g/mol.
Where can I buy ChemDiv1_003527?
You can request a quote for ChemDiv1_003527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003527?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.