BAS 01404075
TL;DR: BAS 01404075 (CAS 330557-62-5) is a chemical compound with molecular formula C25H21N3O3 and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01404075, 10-(3-nitrophenyl)-14-phenyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one, 11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-{3-nitrophenyl}-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C25H21N3O3 |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 5.5743 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.1583 |
| Heavy Atoms | 31 |
| Complexity | 1203.3988 |
Chemical Identifiers
| CAS Number | 330557-62-5 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
BAS 01404075 (CAS 330557-62-5), with molecular formula C25H21N3O3 and molecular weight 411.16 g/mol. IUPAC: 6-(3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01404075
Property Insights of BAS 01404075
The XLogP value of 5.5743 indicates that BAS 01404075 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01404075. Following Lipinski's Rule of Five, BAS 01404075 has 2 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 BAS 01404075?
The CAS number of BAS 01404075 is 330557-62-5.
What is the molecular formula of BAS 01404075?
The molecular formula of BAS 01404075 is C25H21N3O3.
What is the molecular weight of BAS 01404075?
The molecular weight of BAS 01404075 is 411.16 g/mol.
Where can I buy BAS 01404075?
You can request a quote for BAS 01404075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404075?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.