Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate
TL;DR: Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate (CAS 712-85-6) is a chemical compound with molecular formula C9H11NO3S and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxyimino-4-thiophen-2-ylbutanoate
Also Known As: methyl 4-hydroxyimino-4-thiophen-2-ylbutanoate, Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate, methyl 4-(hydroxyimino)-4-(thiophen-2-yl)butanoate, 4-hydroxyimino-4-thiophen-2-yl-butyric acid methyl ester
| Molecular Formula | C9H11NO3S |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.04596 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 712-85-6 |
|---|---|
| SMILES | COC(=O)CCC(=NO)C1=CC=CS1 |
| InChIKey | AYMMHIXLVSMNSG-UHFFFAOYSA-N |
Product Overview
Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate (CAS 712-85-6), with molecular formula C9H11NO3S and molecular weight 213.05 g/mol. IUPAC: methyl 4-hydroxyimino-4-thiophen-2-ylbutanoate.
Chemical Property Profile of Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate
Property Insights of Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate. Following Lipinski's Rule of Five, Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate 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 Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate?
The CAS number of Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate is 712-85-6.
What is the molecular formula of Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate?
The molecular formula of Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate is C9H11NO3S.
What is the molecular weight of Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate?
The molecular weight of Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate is 213.05 g/mol.
Where can I buy Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate?
You can request a quote for Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4Z)-4-(hydroxyimino)-4-(2-thienyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.