BAS 00836260
TL;DR: BAS 00836260 (CAS 314283-14-2) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoate
Also Known As: BAS 00836260, AB00102169-01, ethyl (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoate, ETHYL (2E)-3-({3-CYANO-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}CARBAMOYL)PROP-2-ENOATE, ethyl (2E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoate
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.16628 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 610.6706 |
Chemical Identifiers
| CAS Number | 314283-14-2 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=C(C2=C(S1)CCC2)C#N |
Product Overview
BAS 00836260 (CAS 314283-14-2), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: ethyl (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoate.
Chemical Property Profile of BAS 00836260
Property Insights of BAS 00836260
The XLogP value of 2.16628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00836260. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836260. Following Lipinski's Rule of Five, BAS 00836260 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 00836260?
The CAS number of BAS 00836260 is 314283-14-2.
What is the molecular formula of BAS 00836260?
The molecular formula of BAS 00836260 is C14H14N2O3S.
What is the molecular weight of BAS 00836260?
The molecular weight of BAS 00836260 is 290.07 g/mol.
Where can I buy BAS 00836260?
You can request a quote for BAS 00836260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836260?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.