1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate
TL;DR: 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate (CAS 100709-97-5) is a chemical compound with molecular formula C14H15ClO2 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpent-1-yn-3-yl 2-chloro-2-phenylacetate
Also Known As: 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate, 3-Methyl-1-pentyn-3-yl 2-chloro-2-phenylacetate, 3-methylpent-1-yn-3-yl 2-chloro-2-phenylacetate, 3-Methylpent-1-yn-3-yl chloro(phenyl)acetate, 4-09-00-01677 (Beilstein Handbook Reference)
| Molecular Formula | C14H15ClO2 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 3.3116 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.07605 |
| Heavy Atoms | 17 |
| Complexity | 421.5984 |
Chemical Identifiers
| CAS Number | 100709-97-5 |
|---|---|
| SMILES | CCC(C)(C#C)OC(=O)C(C1=CC=CC=C1)Cl |
Product Overview
1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate (CAS 100709-97-5), with molecular formula C14H15ClO2 and molecular weight 250.08 g/mol. IUPAC: 3-methylpent-1-yn-3-yl 2-chloro-2-phenylacetate.
Chemical Property Profile of 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate
Property Insights of 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate
The XLogP value of 3.3116 indicates that 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate 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 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate?
The CAS number of 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate is 100709-97-5.
What is the molecular formula of 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate?
The molecular formula of 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate is C14H15ClO2.
What is the molecular weight of 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate?
The molecular weight of 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate is 250.08 g/mol.
Where can I buy 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate?
You can request a quote for 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.