BAS 01919912
TL;DR: BAS 01919912 (CAS 59898-74-7) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid
Also Known As: BAS 01919912, 6460AE, (3-methyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo-[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)acetic acid, 2-((3-Methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid, 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 2.0505 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 748.1347 |
Chemical Identifiers
| CAS Number | 59898-74-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC(=O)O)SC3=C2CCCC3 |
Product Overview
BAS 01919912 (CAS 59898-74-7), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of BAS 01919912
Property Insights of BAS 01919912
The XLogP value of 2.0505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01919912. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01919912. Following Lipinski's Rule of Five, BAS 01919912 has 1 hydrogen bond donor(s) and 5 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 01919912?
The CAS number of BAS 01919912 is 59898-74-7.
What is the molecular formula of BAS 01919912?
The molecular formula of BAS 01919912 is C13H14N2O3S2.
What is the molecular weight of BAS 01919912?
The molecular weight of BAS 01919912 is 310.04 g/mol.
Where can I buy BAS 01919912?
You can request a quote for BAS 01919912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01919912?
Yes, KEHONG BIO provides custom synthesis services for BAS 01919912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.