1-Propanol, 3-chloro-2,2-dimethyl-
TL;DR: 1-Propanol, 3-chloro-2,2-dimethyl- (CAS 13401-56-4) is a chemical compound with molecular formula C5H11ClO and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,2-dimethylpropan-1-ol
Also Known As: 3-Chloro-2,2-dimethyl-1-propanol, 3-Chloro-2,2-dimethylpropan-1-ol, Ibuprofen Impurity 8, 1-Propanol, 3-chloro-2,2-dimethyl-, Ibuprofen Impurity 89
| Molecular Formula | C5H11ClO |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.04984 |
| Heavy Atoms | 7 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 13401-56-4 |
|---|---|
| SMILES | CC(C)(CO)CCl |
| InChIKey | CAZPRAORHCOIHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanol, 3-chloro-2,2-dimethyl- (CAS 13401-56-4), with molecular formula C5H11ClO and molecular weight 122.05 g/mol. IUPAC: 3-chloro-2,2-dimethylpropan-1-ol.
Chemical Property Profile of 1-Propanol, 3-chloro-2,2-dimethyl-
Property Insights of 1-Propanol, 3-chloro-2,2-dimethyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 3-chloro-2,2-dimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Propanol, 3-chloro-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanol, 3-chloro-2,2-dimethyl- 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-Propanol, 3-chloro-2,2-dimethyl-?
The CAS number of 1-Propanol, 3-chloro-2,2-dimethyl- is 13401-56-4.
What is the molecular formula of 1-Propanol, 3-chloro-2,2-dimethyl-?
The molecular formula of 1-Propanol, 3-chloro-2,2-dimethyl- is C5H11ClO.
What is the molecular weight of 1-Propanol, 3-chloro-2,2-dimethyl-?
The molecular weight of 1-Propanol, 3-chloro-2,2-dimethyl- is 122.05 g/mol.
Where can I buy 1-Propanol, 3-chloro-2,2-dimethyl-?
You can request a quote for 1-Propanol, 3-chloro-2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 3-chloro-2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 3-chloro-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.