BAS 04056957
TL;DR: BAS 04056957 (CAS 378769-47-2) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-N-(2-hydroxyethyl)-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide
Also Known As: BAS 04056957, AJ-292/41083092, 3-amino-N-(2-hydroxyethyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamide, 3-Amino-7,7-dimethyl-7,8-dihydro-5H-6-oxa-1-thia-9-aza-cyclopenta[b]naphthalene-2-carboxylic acid (2-hydroxy-ethyl)-amide, 3-AMINO-N~2~-(2-HYDROXYETHYL)-7,7-DIMETHYL-7,8-DIHYDRO-5H-PYRANO[4,3-B]THIENO[3,2-E]PYRIDINE-2-CARBOXAMIDE
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 1.4519 |
| Topological Polar Surface Area | 97.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 739.1982 |
Chemical Identifiers
| CAS Number | 378769-47-2 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=C(S3)C(=O)NCCO)N)C |
Product Overview
BAS 04056957 (CAS 378769-47-2), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: 6-amino-N-(2-hydroxyethyl)-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide.
Chemical Property Profile of BAS 04056957
Property Insights of BAS 04056957
The XLogP value of 1.4519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04056957. The TPSA of 97.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04056957. Following Lipinski's Rule of Five, BAS 04056957 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04056957?
The CAS number of BAS 04056957 is 378769-47-2.
What is the molecular formula of BAS 04056957?
The molecular formula of BAS 04056957 is C15H19N3O3S.
What is the molecular weight of BAS 04056957?
The molecular weight of BAS 04056957 is 321.11 g/mol.
Where can I buy BAS 04056957?
You can request a quote for BAS 04056957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04056957?
Yes, KEHONG BIO provides custom synthesis services for BAS 04056957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.