BAS 04913287
TL;DR: BAS 04913287 (CAS 499232-09-6) is a chemical compound with molecular formula C14H15N3O2S2 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: BAS 04913287, 2-(5-Allyl-4-oxo-2,3,4,5-tetrahydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-6-ylsulfanyl)-acetamide, 2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, 2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thi ophen-2-ylthio)acetamide
| Molecular Formula | C14H15N3O2S2 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.06058 |
| Heavy Atoms | 21 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 499232-09-6 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N)SC3=C2CCC3 |
| InChIKey | KNFVQJGOSDKETP-UHFFFAOYSA-N |
Product Overview
BAS 04913287 (CAS 499232-09-6), with molecular formula C14H15N3O2S2 and molecular weight 321.06 g/mol. IUPAC: 2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04913287
Property Insights of BAS 04913287
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04913287. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04913287. Following Lipinski's Rule of Five, BAS 04913287 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 04913287?
The CAS number of BAS 04913287 is 499232-09-6.
What is the molecular formula of BAS 04913287?
The molecular formula of BAS 04913287 is C14H15N3O2S2.
What is the molecular weight of BAS 04913287?
The molecular weight of BAS 04913287 is 321.06 g/mol.
Where can I buy BAS 04913287?
You can request a quote for BAS 04913287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913287?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.