A2974/0125331
TL;DR: A2974/0125331 (CAS 523992-45-2) is a chemical compound with molecular formula C33H35N3O4 and molecular weight 537.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-tert-butylphenyl)-5-(2-methylpropanoyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: A2974/0125331, 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-methylpropan-1-one, 3-(4-(tert-butyl)phenyl)-10-isobutyryl-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(4-tert-butylphenyl)-10-(2-methylpropanoyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-[4-(TERT-BUTYL)PHENYL]-10-ISOBUTYRYL-11-(3-NITROPHENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C33H35N3O4 |
|---|---|
| Molecular Weight | 537.26 g/mol |
| LogP | 7.4489 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 537.26276 |
| Heavy Atoms | 40 |
| Complexity | 1515.1453 |
Chemical Identifiers
| CAS Number | 523992-45-2 |
|---|---|
| SMILES | CC(C)C(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
A2974/0125331 (CAS 523992-45-2), with molecular formula C33H35N3O4 and molecular weight 537.26 g/mol. IUPAC: 9-(4-tert-butylphenyl)-5-(2-methylpropanoyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A2974/0125331
Property Insights of A2974/0125331
The XLogP value of 7.4489 indicates that A2974/0125331 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 A2974/0125331. Following Lipinski's Rule of Five, A2974/0125331 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 A2974/0125331?
The CAS number of A2974/0125331 is 523992-45-2.
What is the molecular formula of A2974/0125331?
The molecular formula of A2974/0125331 is C33H35N3O4.
What is the molecular weight of A2974/0125331?
The molecular weight of A2974/0125331 is 537.26 g/mol.
Where can I buy A2974/0125331?
You can request a quote for A2974/0125331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2974/0125331?
Yes, KEHONG BIO provides custom synthesis services for A2974/0125331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.