BAS 01404067
TL;DR: BAS 01404067 (CAS 330557-59-0) is a chemical compound with molecular formula C26H23N3O3 and molecular weight 425.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methyl-3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01404067, 11-(4-methyl-3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-methyl-3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(4-methyl-3-nitrophenyl)-14-phenyl-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6-tetraen-12-one, 11-(4-methyl-3-nitrophenyl)-3-phenyl-2,3,4-trihydro-5H,10H,11H-benzo[b]benzo[2 ,1-f]1,4-diazepin-1-one
| Molecular Formula | C26H23N3O3 |
|---|---|
| Molecular Weight | 425.17 g/mol |
| LogP | 5.88272 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.17395 |
| Heavy Atoms | 32 |
| Complexity | 1250.1818 |
Chemical Identifiers
| CAS Number | 330557-59-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2)[N+](=O)[O-] |
Product Overview
BAS 01404067 (CAS 330557-59-0), with molecular formula C26H23N3O3 and molecular weight 425.17 g/mol. IUPAC: 6-(4-methyl-3-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01404067
Property Insights of BAS 01404067
The XLogP value of 5.88272 indicates that BAS 01404067 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 01404067. Following Lipinski's Rule of Five, BAS 01404067 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 01404067?
The CAS number of BAS 01404067 is 330557-59-0.
What is the molecular formula of BAS 01404067?
The molecular formula of BAS 01404067 is C26H23N3O3.
What is the molecular weight of BAS 01404067?
The molecular weight of BAS 01404067 is 425.17 g/mol.
Where can I buy BAS 01404067?
You can request a quote for BAS 01404067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404067?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.