BAS 04913333
TL;DR: BAS 04913333 (CAS 501112-75-0) is a chemical compound with molecular formula C16H16N4O2S3 and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
Also Known As: BAS 04913333, 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide, F1344-0005, 2-(5,6-dimethyl-4-oxo-3-prop-2-enyl(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio) )-N-(1,3-thiazol-2-yl)acetamide, 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C16H16N4O2S3 |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 3.44814 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.04355 |
| Heavy Atoms | 25 |
| Complexity | 989.13654 |
Chemical Identifiers
| CAS Number | 501112-75-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=NC=CS3)CC=C)C |
Product Overview
BAS 04913333 (CAS 501112-75-0), with molecular formula C16H16N4O2S3 and molecular weight 392.04 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of BAS 04913333
Property Insights of BAS 04913333
The XLogP value of 3.44814 indicates that BAS 04913333 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04913333. Following Lipinski's Rule of Five, BAS 04913333 has 1 hydrogen bond donor(s) and 7 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 04913333?
The CAS number of BAS 04913333 is 501112-75-0.
What is the molecular formula of BAS 04913333?
The molecular formula of BAS 04913333 is C16H16N4O2S3.
What is the molecular weight of BAS 04913333?
The molecular weight of BAS 04913333 is 392.04 g/mol.
Where can I buy BAS 04913333?
You can request a quote for BAS 04913333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913333?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.