BAS 02072546
TL;DR: BAS 02072546 (CAS 5965-97-9) 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-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide
Also Known As: BAS 02072546, BIM-0039032.P001, AB00667955-01, AF-399/13479031, N-allyl-2-((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 | 2.2577 |
| Topological Polar Surface Area | 74.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.07623 |
| Heavy Atoms | 22 |
| Complexity | 778.9209 |
Chemical Identifiers
| CAS Number | 5965-97-9 |
|---|---|
| SMILES | C=CCNC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
Product Overview
BAS 02072546 (CAS 5965-97-9), with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol. IUPAC: 2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide.
Chemical Property Profile of BAS 02072546
Property Insights of BAS 02072546
The XLogP value of 2.2577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02072546. The TPSA of 74.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02072546. Following Lipinski's Rule of Five, BAS 02072546 has 2 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 02072546?
The CAS number of BAS 02072546 is 5965-97-9.
What is the molecular formula of BAS 02072546?
The molecular formula of BAS 02072546 is C15H17N3O2S2.
What is the molecular weight of BAS 02072546?
The molecular weight of BAS 02072546 is 335.08 g/mol.
Where can I buy BAS 02072546?
You can request a quote for BAS 02072546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02072546?
Yes, KEHONG BIO provides custom synthesis services for BAS 02072546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.