![methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate structure](/static/products/1086/1086252-24-5.webp)
methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate
TL;DR: methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate (CAS 1086252-24-5) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5E)-5-(4-benzamido-3-oxothiolan-2-ylidene)pentanoate
Also Known As: AB00086725-01, methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate, methyl (5E)-5-(4-benzamido-3-oxothiolan-2-ylidene)pentanoate, Methyl (E)-5-(4-benzamido-3-oxodihydrothiophen-2(3H)-ylidene)pentanoate
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.3281 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 612.2792 |
Chemical Identifiers
| CAS Number | 1086252-24-5 |
|---|---|
| SMILES | COC(=O)CCC/C=C/1\C(=O)C(CS1)NC(=O)C2=CC=CC=C2 |
Product Overview
methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate (CAS 1086252-24-5), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: methyl (5E)-5-(4-benzamido-3-oxothiolan-2-ylidene)pentanoate.
Chemical Property Profile of methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate
Property Insights of methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate
The XLogP value of 2.3281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate. Following Lipinski's Rule of Five, methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate 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 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate?
The CAS number of methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate is 1086252-24-5.
What is the molecular formula of methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate?
The molecular formula of methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate is C17H19NO4S.
What is the molecular weight of methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate?
The molecular weight of methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate is 333.10 g/mol.
Where can I buy methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate?
You can request a quote for methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[4-(benzoylamino)-3-oxodihydro-2(3H)-thienylidene]pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.