BAS 01176896
TL;DR: BAS 01176896 (CAS 332145-41-2) is a chemical compound with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
Also Known As: BAS 01176896, AJ-292/12929026, Ethyl 2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate, ethyl 2-[(6-ethyl-6-methyl-4-oxo-5,8-dihydro-3H-pyrano[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]acetate, (6-Ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-7-oxa-9-thia-1,3-diaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester
| Molecular Formula | C16H20N2O4S2 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 2.8812 |
| Topological Polar Surface Area | 81.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.08646 |
| Heavy Atoms | 24 |
| Complexity | 829.32715 |
Chemical Identifiers
| CAS Number | 332145-41-2 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)SCC(=O)OCC)C |
Product Overview
BAS 01176896 (CAS 332145-41-2), with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol. IUPAC: ethyl 2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate.
Chemical Property Profile of BAS 01176896
Property Insights of BAS 01176896
The XLogP value of 2.8812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01176896. The TPSA of 81.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01176896. Following Lipinski's Rule of Five, BAS 01176896 has 1 hydrogen bond donor(s) and 7 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 01176896?
The CAS number of BAS 01176896 is 332145-41-2.
What is the molecular formula of BAS 01176896?
The molecular formula of BAS 01176896 is C16H20N2O4S2.
What is the molecular weight of BAS 01176896?
The molecular weight of BAS 01176896 is 368.09 g/mol.
Where can I buy BAS 01176896?
You can request a quote for BAS 01176896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176896?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.