2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-
TL;DR: 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- (CAS 226915-53-3) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (4R)-4-hydroxypent-2-ynoate
Also Known As: Benzyl (4R)-4-hydroxypent-2-ynoate, (R)-Benzyl 4-hydroxypent-2-ynoate, 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-, Benzyl (R)-4-Hydroxy-2-pentynoate, (R)-benzyl 4-hydroxyl-2-pentynoate
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.114 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 370.84885 |
Chemical Identifiers
| CAS Number | 226915-53-3 |
|---|---|
| SMILES | C[C@H](C#CC(=O)OCC1=CC=CC=C1)O |
Product Overview
2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- (CAS 226915-53-3), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: benzyl (4R)-4-hydroxypent-2-ynoate.
Chemical Property Profile of 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-
Property Insights of 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-
The XLogP value of 1.114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- has 1 hydrogen bond donor(s) and 3 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 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-?
The CAS number of 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- is 226915-53-3.
What is the molecular formula of 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-?
The molecular formula of 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- is C12H12O3.
What is the molecular weight of 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-?
The molecular weight of 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- is 204.08 g/mol.
Where can I buy 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-?
You can request a quote for 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentynoic acid, 4-hydroxy-, phenylmethyl ester, (4R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.