BAS 01174086
TL;DR: BAS 01174086 (CAS 328274-89-1) is a chemical compound with molecular formula C23H23N3O3 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-[(E)-2-(2-nitrophenyl)ethenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01174086, 9,9-dimethyl-6-[(E)-2-(2-nitrophenyl)ethenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 11-(2-{2-nitrophenyl}vinyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, (E)-3,3-dimethyl-11-(2-nitrostyryl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-[(1E)-2-(2-nitrophenyl)vinyl]-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C23H23N3O3 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 5.1574 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.17395 |
| Heavy Atoms | 29 |
| Complexity | 1052.8385 |
Chemical Identifiers
| CAS Number | 328274-89-1 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)/C=C/C4=CC=CC=C4[N+](=O)[O-])C(=O)C1)C |
Product Overview
BAS 01174086 (CAS 328274-89-1), with molecular formula C23H23N3O3 and molecular weight 389.17 g/mol. IUPAC: 9,9-dimethyl-6-[(E)-2-(2-nitrophenyl)ethenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01174086
Property Insights of BAS 01174086
The XLogP value of 5.1574 indicates that BAS 01174086 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 01174086. Following Lipinski's Rule of Five, BAS 01174086 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 01174086?
The CAS number of BAS 01174086 is 328274-89-1.
What is the molecular formula of BAS 01174086?
The molecular formula of BAS 01174086 is C23H23N3O3.
What is the molecular weight of BAS 01174086?
The molecular weight of BAS 01174086 is 389.17 g/mol.
Where can I buy BAS 01174086?
You can request a quote for BAS 01174086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01174086?
Yes, KEHONG BIO provides custom synthesis services for BAS 01174086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.