2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-
TL;DR: 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)- (CAS 88991-30-4) is a chemical compound with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoic acid
Also Known As: 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-, 2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoic acid, AN-037/15477017, 2-(benzoylamino)-3-{5-nitro-2-thienyl}acrylic acid
| Molecular Formula | C14H10N2O5S |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 2.5118 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.03104 |
| Heavy Atoms | 22 |
| Complexity | 751.6035 |
Chemical Identifiers
| CAS Number | 88991-30-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)O |
Product Overview
2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)- (CAS 88991-30-4), with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol. IUPAC: 2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-
Property Insights of 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-
The XLogP value of 2.5118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)- has 2 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 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-?
The CAS number of 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)- is 88991-30-4.
What is the molecular formula of 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-?
The molecular formula of 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)- is C14H10N2O5S.
What is the molecular weight of 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-?
The molecular weight of 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)- is 318.03 g/mol.
Where can I buy 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-?
You can request a quote for 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-(benzoylamino)-3-(5-nitro-2-thienyl)-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.