BAS 03542938
TL;DR: BAS 03542938 (CAS 446830-21-3) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid
Also Known As: BAS 03542938, AP-906/40975164, 2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid, 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid, 2-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-4-yl}propanoic acid
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 1.9824 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 716.482 |
Chemical Identifiers
| CAS Number | 446830-21-3 |
|---|---|
| SMILES | CC(C(=O)O)N1C=NC2=C(C1=O)C3=C(S2)CCCC3 |
Product Overview
BAS 03542938 (CAS 446830-21-3), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid.
Chemical Property Profile of BAS 03542938
Property Insights of BAS 03542938
The XLogP value of 1.9824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03542938. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03542938. Following Lipinski's Rule of Five, BAS 03542938 has 1 hydrogen bond donor(s) and 4 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 03542938?
The CAS number of BAS 03542938 is 446830-21-3.
What is the molecular formula of BAS 03542938?
The molecular formula of BAS 03542938 is C13H14N2O3S.
What is the molecular weight of BAS 03542938?
The molecular weight of BAS 03542938 is 278.07 g/mol.
Where can I buy BAS 03542938?
You can request a quote for BAS 03542938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03542938?
Yes, KEHONG BIO provides custom synthesis services for BAS 03542938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.