3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate
TL;DR: 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate (CAS 40390-12-3) is a chemical compound with molecular formula C14H19ClO4 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3-hydroxybutyl] (2R)-2-(4-chloro-2-methylphenoxy)propanoate
Also Known As: EINECS 254-902-6, 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate, [(3S)-3-hydroxybutyl] (2R)-2-(4-chloro-2-methylphenoxy)propanoate, (3S)-3-HYDROXYBUTYL (2R)-2-(4-CHLORO-2-METHYLPHENOXY)PROPANOATE, [(3S)-3-hydroxybutyl] (2R)-2-(4-chloro-2-methyl-phenoxy)propanoate
| Molecular Formula | C14H19ClO4 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 2.72982 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.0972 |
| Heavy Atoms | 19 |
| Complexity | 431.4542 |
Chemical Identifiers
| CAS Number | 40390-12-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)OCC[C@H](C)O |
Product Overview
3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate (CAS 40390-12-3), with molecular formula C14H19ClO4 and molecular weight 286.10 g/mol. IUPAC: [(3S)-3-hydroxybutyl] (2R)-2-(4-chloro-2-methylphenoxy)propanoate.
Chemical Property Profile of 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate
Property Insights of 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate
The XLogP value of 2.72982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate. With a topological polar surface area (TPSA) of 55.76 Ų, 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate 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 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate?
The CAS number of 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate is 40390-12-3.
What is the molecular formula of 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular formula of 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate is C14H19ClO4.
What is the molecular weight of 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular weight of 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate is 286.10 g/mol.
Where can I buy 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate?
You can request a quote for 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.