ChemDiv1_003575
TL;DR: ChemDiv1_003575 (CAS 353774-50-2) is a chemical compound with molecular formula C28H25N3O4 and molecular weight 467.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003575, 5-benzoyl-9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 10-benzoyl-11-{4-nitrophenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-benzoyl-3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, [1-hydroxy-3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](phenyl)methanone
| Molecular Formula | C28H25N3O4 |
|---|---|
| Molecular Weight | 467.18 g/mol |
| LogP | 6.0516 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.1845 |
| Heavy Atoms | 35 |
| Complexity | 1360.4645 |
Chemical Identifiers
| CAS Number | 353774-50-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
ChemDiv1_003575 (CAS 353774-50-2), with molecular formula C28H25N3O4 and molecular weight 467.18 g/mol. IUPAC: 5-benzoyl-9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003575
Property Insights of ChemDiv1_003575
The XLogP value of 6.0516 indicates that ChemDiv1_003575 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_003575. Following Lipinski's Rule of Five, ChemDiv1_003575 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_003575?
The CAS number of ChemDiv1_003575 is 353774-50-2.
What is the molecular formula of ChemDiv1_003575?
The molecular formula of ChemDiv1_003575 is C28H25N3O4.
What is the molecular weight of ChemDiv1_003575?
The molecular weight of ChemDiv1_003575 is 467.18 g/mol.
Where can I buy ChemDiv1_003575?
You can request a quote for ChemDiv1_003575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003575?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.