methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate
TL;DR: methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate (CAS 59348-34-4) is a chemical compound with molecular formula C17H22ClNO3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(2S,3S,4R)-4-benzamido-3-chlorothiolan-2-yl]pentanoate
Also Known As: AB00086851-01, methyl 5-(4-benzamido-3-chlorothiolan-2-yl)pentanoate, methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate, methyl 5-[(2S,3S,4R)-4-benzamido-3-chlorothiolan-2-yl]pentanoate, methyl 5-{(2S,3S,4R)-3-chloro-4-[(phenylcarbonyl)amino]tetrahydrothiophen-2-yl}pentanoate
| Molecular Formula | C17H22ClNO3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.2412 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.1009 |
| Heavy Atoms | 23 |
| Complexity | 525.8296 |
Chemical Identifiers
| CAS Number | 59348-34-4 |
|---|---|
| SMILES | COC(=O)CCCC[C@H]1[C@H]([C@@H](CS1)NC(=O)C2=CC=CC=C2)Cl |
Product Overview
methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate (CAS 59348-34-4), with molecular formula C17H22ClNO3S and molecular weight 355.10 g/mol. IUPAC: methyl 5-[(2S,3S,4R)-4-benzamido-3-chlorothiolan-2-yl]pentanoate.
Chemical Property Profile of methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate
Property Insights of methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate
The XLogP value of 3.2412 indicates that methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate has 1 hydrogen bond donor(s) and 4 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-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate?
The CAS number of methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate is 59348-34-4.
What is the molecular formula of methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate?
The molecular formula of methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate is C17H22ClNO3S.
What is the molecular weight of methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate?
The molecular weight of methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate is 355.10 g/mol.
Where can I buy methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate?
You can request a quote for methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)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-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-((2S,3S,4R)-4-benzamido-3-chlorotetrahydrothiophen-2-yl)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.