BAS 04913286
TL;DR: BAS 04913286 (CAS 351006-22-9) is a chemical compound with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 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]acetate
Also Known As: BAS 04913286, BIM-0015972.P001, Ethyl 2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-2-ylthio)acetate, ethyl {[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}acetate, ethyl 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C16H18N2O3S2 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 2.7879 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.0759 |
| Heavy Atoms | 23 |
| Complexity | 822.8202 |
Chemical Identifiers
| CAS Number | 351006-22-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C |
Product Overview
BAS 04913286 (CAS 351006-22-9), with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol. IUPAC: ethyl 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]acetate.
Chemical Property Profile of BAS 04913286
Property Insights of BAS 04913286
The XLogP value of 2.7879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04913286. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04913286. Following Lipinski's Rule of Five, BAS 04913286 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 04913286?
The CAS number of BAS 04913286 is 351006-22-9.
What is the molecular formula of BAS 04913286?
The molecular formula of BAS 04913286 is C16H18N2O3S2.
What is the molecular weight of BAS 04913286?
The molecular weight of BAS 04913286 is 350.08 g/mol.
Where can I buy BAS 04913286?
You can request a quote for BAS 04913286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913286?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.