3-Butyn-2-ol, 4-chloro-2-methyl-
TL;DR: 3-Butyn-2-ol, 4-chloro-2-methyl- (CAS 29552-15-6) is a chemical compound with molecular formula C5H7ClO and molecular weight 118.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylbut-3-yn-2-ol
Also Known As: 4-Chloro-2-methyl-3-butyn-2-ol, 3-Butyn-2-ol, 4-chloro-2-methyl-, 4-chloro-2-methylbut-3-yn-2-ol, 1-Chloro-3-methyl-1-butyne-3-ol, 4-01-00-02232 (Beilstein Handbook Reference)
| Molecular Formula | C5H7ClO |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.01854 |
| Heavy Atoms | 7 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 29552-15-6 |
|---|---|
| SMILES | CC(C)(C#CCl)O |
| InChIKey | MEPXEEKWGQKRHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butyn-2-ol, 4-chloro-2-methyl- (CAS 29552-15-6), with molecular formula C5H7ClO and molecular weight 118.02 g/mol. IUPAC: 4-chloro-2-methylbut-3-yn-2-ol.
Chemical Property Profile of 3-Butyn-2-ol, 4-chloro-2-methyl-
Property Insights of 3-Butyn-2-ol, 4-chloro-2-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-ol, 4-chloro-2-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Butyn-2-ol, 4-chloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyn-2-ol, 4-chloro-2-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 3-Butyn-2-ol, 4-chloro-2-methyl-?
The CAS number of 3-Butyn-2-ol, 4-chloro-2-methyl- is 29552-15-6.
What is the molecular formula of 3-Butyn-2-ol, 4-chloro-2-methyl-?
The molecular formula of 3-Butyn-2-ol, 4-chloro-2-methyl- is C5H7ClO.
What is the molecular weight of 3-Butyn-2-ol, 4-chloro-2-methyl-?
The molecular weight of 3-Butyn-2-ol, 4-chloro-2-methyl- is 118.02 g/mol.
Where can I buy 3-Butyn-2-ol, 4-chloro-2-methyl-?
You can request a quote for 3-Butyn-2-ol, 4-chloro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyn-2-ol, 4-chloro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-ol, 4-chloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.