2-氰基戊酸
TL;DR: 2-氰基戊酸 (CAS 99839-48-2) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基戊酸
2-cyanopentanoic acid
Also Known As: 2-cyanopentanoic acid, 2-cyanovaleric acid, cyanovaleric acid, 2-cyanopentanoicacid, Valproic Acid Impurity 24
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 99839-48-2 |
|---|---|
| SMILES | CCCC(C#N)C(=O)O |
| InChIKey | NICLKHGIKDZZGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰基戊酸 (CAS 99839-48-2), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 2-cyanopentanoic acid.
Chemical Property Profile of 2-氰基戊酸
Property Insights of 2-氰基戊酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基戊酸. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基戊酸. Following Lipinski's Rule of Five, 2-氰基戊酸 has 1 hydrogen bond donor(s) and 3 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 2-氰基戊酸?
The CAS number of 2-氰基戊酸 is 99839-48-2.
What is the molecular formula of 2-氰基戊酸?
The molecular formula of 2-氰基戊酸 is C6H9NO2.
What is the molecular weight of 2-氰基戊酸?
The molecular weight of 2-氰基戊酸 is 127.06 g/mol.
Where can I buy 2-氰基戊酸?
You can request a quote for 2-氰基戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基戊酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.