Jncar@d
TL;DR: Jncar@d (CAS 1164486-33-2) is a chemical compound with molecular formula C16H13NO5S and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)furan-2-yl]thiophene-2-carboxylate
Also Known As: Jncar@d, Methyl 3-[5-(2-cyano-3-ethoxy-3-oxo-1-propen-1-yl)-2-furanyl]-2-thiophenecarboxylate, methyl 3-[5-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-2-furyl]-2-thiophenecarboxylate, Methyl 3-(5-(2-cyano-3-ethoxy-3-oxo-1-propen-1-yl)-2-furanyl)-2-thiophenecarboxylate, methyl 3-[5-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)furan-2-yl]thiophene-2-carboxylate
| Molecular Formula | C16H13NO5S |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 3.26478 |
| Topological Polar Surface Area | 89.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.05145 |
| Heavy Atoms | 23 |
| Complexity | 793.49774 |
Chemical Identifiers
| CAS Number | 1164486-33-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(O1)C2=C(SC=C2)C(=O)OC)C#N |
Product Overview
Jncar@d (CAS 1164486-33-2), with molecular formula C16H13NO5S and molecular weight 331.05 g/mol. IUPAC: methyl 3-[5-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)furan-2-yl]thiophene-2-carboxylate.
Chemical Property Profile of Jncar@d
Property Insights of Jncar@d
The XLogP value of 3.26478 indicates that Jncar@d is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Jncar@d. Following Lipinski's Rule of Five, Jncar@d has 0 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 Jncar@d?
The CAS number of Jncar@d is 1164486-33-2.
What is the molecular formula of Jncar@d?
The molecular formula of Jncar@d is C16H13NO5S.
What is the molecular weight of Jncar@d?
The molecular weight of Jncar@d is 331.05 g/mol.
Where can I buy Jncar@d?
You can request a quote for Jncar@d directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jncar@d?
Yes, KEHONG BIO provides custom synthesis services for Jncar@d and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.