Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI)
TL;DR: Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) (CAS 98190-86-4) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-chloro-2-methylpropanoate
Also Known As: Methyl (S)-3-chloro-2-methylpropanoate, methyl (2S)-3-chloro-2-methylpropanoate, (S)-methyl 3-chloro-2-methylpropionate, propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-, Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)- (9CI)
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 1.0343 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 82.497856 |
Chemical Identifiers
| CAS Number | 98190-86-4 |
|---|---|
| SMILES | C[C@H](CCl)C(=O)OC |
Product Overview
Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) (CAS 98190-86-4), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: methyl (2S)-3-chloro-2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI)
Property Insights of Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI)
The XLogP value of 1.0343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI). With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) has 0 hydrogen bond donor(s) and 2 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 Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI)?
The CAS number of Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) is 98190-86-4.
What is the molecular formula of Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI)?
The molecular formula of Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) is C5H9ClO2.
What is the molecular weight of Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI)?
The molecular weight of Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) is 136.03 g/mol.
Where can I buy Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI)?
You can request a quote for Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-chloro-2-methyl-, methyl ester, (2S)-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.