BAS 00700405
TL;DR: BAS 00700405 (CAS 331964-48-8) is a chemical compound with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Also Known As: BAS 00700405, AB00093374-01, methyl [(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, methyl [(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetate, methyl 2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
| Molecular Formula | C15H18N2O3S2 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 2.6218 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0759 |
| Heavy Atoms | 22 |
| Complexity | 779.166 |
Chemical Identifiers
| CAS Number | 331964-48-8 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)OC)SC3=C2CCCC3 |
Product Overview
BAS 00700405 (CAS 331964-48-8), with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol. IUPAC: methyl 2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of BAS 00700405
Property Insights of BAS 00700405
The XLogP value of 2.6218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00700405. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00700405. Following Lipinski's Rule of Five, BAS 00700405 has 0 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 00700405?
The CAS number of BAS 00700405 is 331964-48-8.
What is the molecular formula of BAS 00700405?
The molecular formula of BAS 00700405 is C15H18N2O3S2.
What is the molecular weight of BAS 00700405?
The molecular weight of BAS 00700405 is 338.08 g/mol.
Where can I buy BAS 00700405?
You can request a quote for BAS 00700405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700405?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.