BAS 01404080
TL;DR: BAS 01404080 (CAS 330558-64-0) is a chemical compound with molecular formula C26H23N3O4 and molecular weight 441.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-6-(2-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01404080, AB00101687-01, 3-(4-methoxyphenyl)-11-(2-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-methoxyphenyl)-6-(2-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-{2-nitrophenyl}-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C26H23N3O4 |
|---|---|
| Molecular Weight | 441.17 g/mol |
| LogP | 5.5829 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.16885 |
| Heavy Atoms | 33 |
| Complexity | 1266.5385 |
Chemical Identifiers
| CAS Number | 330558-64-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CC=C5[N+](=O)[O-])C(=O)C2 |
Product Overview
BAS 01404080 (CAS 330558-64-0), with molecular formula C26H23N3O4 and molecular weight 441.17 g/mol. IUPAC: 9-(4-methoxyphenyl)-6-(2-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01404080
Property Insights of BAS 01404080
The XLogP value of 5.5829 indicates that BAS 01404080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01404080. Following Lipinski's Rule of Five, BAS 01404080 has 2 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 BAS 01404080?
The CAS number of BAS 01404080 is 330558-64-0.
What is the molecular formula of BAS 01404080?
The molecular formula of BAS 01404080 is C26H23N3O4.
What is the molecular weight of BAS 01404080?
The molecular weight of BAS 01404080 is 441.17 g/mol.
Where can I buy BAS 01404080?
You can request a quote for BAS 01404080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404080?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.