BAS 00600458
TL;DR: BAS 00600458 (CAS 331819-91-1) is a chemical compound with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: BAS 00600458, 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, AB00672986-01, F1008-0233, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C15H17N3O2S2 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.07623 |
| Heavy Atoms | 22 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 331819-91-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N)SC3=C2CCCC3 |
| InChIKey | GNJMDAAFIISTPC-UHFFFAOYSA-N |
Product Overview
BAS 00600458 (CAS 331819-91-1), with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol. IUPAC: 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 00600458
Property Insights of BAS 00600458
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00600458. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00600458. Following Lipinski's Rule of Five, BAS 00600458 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 00600458?
The CAS number of BAS 00600458 is 331819-91-1.
What is the molecular formula of BAS 00600458?
The molecular formula of BAS 00600458 is C15H17N3O2S2.
What is the molecular weight of BAS 00600458?
The molecular weight of BAS 00600458 is 335.08 g/mol.
Where can I buy BAS 00600458?
You can request a quote for BAS 00600458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00600458?
Yes, KEHONG BIO provides custom synthesis services for BAS 00600458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.