3-Chloro-2-methyl-2-pentanol
TL;DR: 3-Chloro-2-methyl-2-pentanol (CAS 74685-49-7) is a chemical compound with molecular formula C6H13ClO and molecular weight 136.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methylpentan-2-ol
Also Known As: 3-Chloro-2-methyl-2-pentanol, 3-chloro-2-methylpentan-2-ol, 2-Pentanol, 3-chloro-2-methyl-, 3-chloro-2-methyl-pentan-2-ol, 3-Chloro-2-methyl-2-pentanol #
| Molecular Formula | C6H13ClO |
|---|---|
| Molecular Weight | 136.07 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 | 136.06549 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 74685-49-7 |
|---|---|
| SMILES | CCC(C(C)(C)O)Cl |
| InChIKey | NZRNIYUJHYKFBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-methyl-2-pentanol (CAS 74685-49-7), with molecular formula C6H13ClO and molecular weight 136.07 g/mol. IUPAC: 3-chloro-2-methylpentan-2-ol.
Chemical Property Profile of 3-Chloro-2-methyl-2-pentanol
Property Insights of 3-Chloro-2-methyl-2-pentanol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methyl-2-pentanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Chloro-2-methyl-2-pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-2-pentanol 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-Chloro-2-methyl-2-pentanol?
The CAS number of 3-Chloro-2-methyl-2-pentanol is 74685-49-7.
What is the molecular formula of 3-Chloro-2-methyl-2-pentanol?
The molecular formula of 3-Chloro-2-methyl-2-pentanol is C6H13ClO.
What is the molecular weight of 3-Chloro-2-methyl-2-pentanol?
The molecular weight of 3-Chloro-2-methyl-2-pentanol is 136.07 g/mol.
Where can I buy 3-Chloro-2-methyl-2-pentanol?
You can request a quote for 3-Chloro-2-methyl-2-pentanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methyl-2-pentanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methyl-2-pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.