1-Pentyn-3-ol, 1-chloro-3-methyl-
TL;DR: 1-Pentyn-3-ol, 1-chloro-3-methyl- (CAS 31857-86-0) is a chemical compound with molecular formula C6H9ClO and molecular weight 132.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-methylpent-1-yn-3-ol
Also Known As: 1-Chloro-3-methyl-1-pentyn-3-ol, 1-chloro-3-methylpent-1-yn-3-ol, 1-Pentyn-3-ol, 1-chloro-3-methyl-, 1-Pentyn-3-ol,1-chloro-3-methyl, 1-Pentyn-3-ol,1-chloro-3-methyl-
| Molecular Formula | C6H9ClO |
|---|---|
| Molecular Weight | 132.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.0342 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 31857-86-0 |
|---|---|
| SMILES | CCC(C)(C#CCl)O |
| InChIKey | QEAYVMNOZPBEII-UHFFFAOYSA-N |
Product Overview
1-Pentyn-3-ol, 1-chloro-3-methyl- (CAS 31857-86-0), with molecular formula C6H9ClO and molecular weight 132.03 g/mol. IUPAC: 1-chloro-3-methylpent-1-yn-3-ol.
Chemical Property Profile of 1-Pentyn-3-ol, 1-chloro-3-methyl-
Property Insights of 1-Pentyn-3-ol, 1-chloro-3-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentyn-3-ol, 1-chloro-3-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Pentyn-3-ol, 1-chloro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentyn-3-ol, 1-chloro-3-methyl- has 1 hydrogen bond donor(s) and 1 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, 1-chloro-3-methyl-?
The CAS number of 1-Pentyn-3-ol, 1-chloro-3-methyl- is 31857-86-0.
What is the molecular formula of 1-Pentyn-3-ol, 1-chloro-3-methyl-?
The molecular formula of 1-Pentyn-3-ol, 1-chloro-3-methyl- is C6H9ClO.
What is the molecular weight of 1-Pentyn-3-ol, 1-chloro-3-methyl-?
The molecular weight of 1-Pentyn-3-ol, 1-chloro-3-methyl- is 132.03 g/mol.
Where can I buy 1-Pentyn-3-ol, 1-chloro-3-methyl-?
You can request a quote for 1-Pentyn-3-ol, 1-chloro-3-methyl- 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, 1-chloro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentyn-3-ol, 1-chloro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.