![methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate structure](/static/products/108/1082689-76-6.png)
methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate
TL;DR: methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate (CAS 1082689-76-6) is a chemical compound with molecular formula C17H21NO4S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate
Also Known As: methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate, methyl (5E)-5-[(3S,4S)-3-hydroxy-4-[(phenylcarbonyl)amino]dihydrothiophen-2(3H)-ylidene]pentanoate, methyl 5-[(2E,3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate, METHYL 5-[(2E)-4-BENZAMIDO-3-HYDROXYTHIOLAN-2-YLIDENE]PENTANOATE, methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxy-tetrahydrothiophen-2-ylidene]pentanoate
| Molecular Formula | C17H21NO4S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 2.1199 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.11914 |
| Heavy Atoms | 23 |
| Complexity | 573.21594 |
Chemical Identifiers
| CAS Number | 1082689-76-6 |
|---|---|
| SMILES | COC(=O)CCC/C=C/1\[C@H]([C@@H](CS1)NC(=O)C2=CC=CC=C2)O |
Product Overview
methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate (CAS 1082689-76-6), with molecular formula C17H21NO4S and molecular weight 335.12 g/mol. IUPAC: methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate.
Chemical Property Profile of methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate
Property Insights of methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate
The XLogP value of 2.1199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate. Following Lipinski's Rule of Five, methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate 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 methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate?
The CAS number of methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate is 1082689-76-6.
What is the molecular formula of methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate?
The molecular formula of methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate is C17H21NO4S.
What is the molecular weight of methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate?
The molecular weight of methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate is 335.12 g/mol.
Where can I buy methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate?
You can request a quote for methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (5E)-5-[(3S,4S)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.