BAS 00338231
TL;DR: BAS 00338231 (CAS 51486-17-0) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00338231, 3-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-methyl-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-methyl-2-methylthio-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4- one
| Molecular Formula | C12H14N2OS2 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.05475 |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 51486-17-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SC)SC3=C2CCCC3 |
| InChIKey | IDPOWZFZYCBICK-UHFFFAOYSA-N |
Product Overview
BAS 00338231 (CAS 51486-17-0), with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol. IUPAC: 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00338231
Property Insights of BAS 00338231
The XLogP value of 3.1 indicates that BAS 00338231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00338231. Following Lipinski's Rule of Five, BAS 00338231 has 0 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 00338231?
The CAS number of BAS 00338231 is 51486-17-0.
What is the molecular formula of BAS 00338231?
The molecular formula of BAS 00338231 is C12H14N2OS2.
What is the molecular weight of BAS 00338231?
The molecular weight of BAS 00338231 is 266.05 g/mol.
Where can I buy BAS 00338231?
You can request a quote for BAS 00338231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00338231?
Yes, KEHONG BIO provides custom synthesis services for BAS 00338231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.