5-羟基-4,4-二甲基戊腈
TL;DR: 5-羟基-4,4-二甲基戊腈 (CAS 25252-68-0) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-羟基-4,4-二甲基戊腈
5-hydroxy-4,4-dimethylpentanenitrile
Also Known As: 5-hydroxy-4,4-dimethylpentanenitrile, 5-Hydroxy-4,4-dimethylvaleronitrile, 4,4-Dimethyl-5-hydroxyvaleronitrile, Pentanenitrile,5-hydroxy-4,4-dimethyl-, 4,4 -Dimethyl-5-hydroxyvaleronitrile
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 25252-68-0 |
|---|---|
| SMILES | CC(C)(CCC#N)CO |
| InChIKey | LPRMANDJSIXLBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-羟基-4,4-二甲基戊腈 (CAS 25252-68-0), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 5-hydroxy-4,4-dimethylpentanenitrile.
Chemical Property Profile of 5-羟基-4,4-二甲基戊腈
Property Insights of 5-羟基-4,4-二甲基戊腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-羟基-4,4-二甲基戊腈. With a topological polar surface area (TPSA) of 44.0 Ų, 5-羟基-4,4-二甲基戊腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-羟基-4,4-二甲基戊腈 has 1 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 5-羟基-4,4-二甲基戊腈?
The CAS number of 5-羟基-4,4-二甲基戊腈 is 25252-68-0.
What is the molecular formula of 5-羟基-4,4-二甲基戊腈?
The molecular formula of 5-羟基-4,4-二甲基戊腈 is C7H13NO.
What is the molecular weight of 5-羟基-4,4-二甲基戊腈?
The molecular weight of 5-羟基-4,4-二甲基戊腈 is 127.10 g/mol.
Where can I buy 5-羟基-4,4-二甲基戊腈?
You can request a quote for 5-羟基-4,4-二甲基戊腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-羟基-4,4-二甲基戊腈?
Yes, KEHONG BIO provides custom synthesis services for 5-羟基-4,4-二甲基戊腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.