1,3-Dicyano-2-propanol
TL;DR: 1,3-Dicyano-2-propanol (CAS 13907-96-5) is a chemical compound with molecular formula C5H6N2O and molecular weight 110.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypentanedinitrile
Also Known As: 3-Hydroxypentanedinitrile, 3-Hydroxyglutaronitrile, Pentanedinitrile, 3-hydroxy-, 1,3-Dicyano-2-propanol, Pentanedinitrile,3-hydroxy-
| Molecular Formula | C5H6N2O |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.04801 |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 13907-96-5 |
|---|---|
| SMILES | C(C#N)C(CC#N)O |
| InChIKey | NMFITULDMUZCQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dicyano-2-propanol (CAS 13907-96-5), with molecular formula C5H6N2O and molecular weight 110.05 g/mol. IUPAC: 3-hydroxypentanedinitrile.
Chemical Property Profile of 1,3-Dicyano-2-propanol
Property Insights of 1,3-Dicyano-2-propanol
The XLogP value of -1.0 indicates that 1,3-Dicyano-2-propanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dicyano-2-propanol. Following Lipinski's Rule of Five, 1,3-Dicyano-2-propanol 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 1,3-Dicyano-2-propanol?
The CAS number of 1,3-Dicyano-2-propanol is 13907-96-5.
What is the molecular formula of 1,3-Dicyano-2-propanol?
The molecular formula of 1,3-Dicyano-2-propanol is C5H6N2O.
What is the molecular weight of 1,3-Dicyano-2-propanol?
The molecular weight of 1,3-Dicyano-2-propanol is 110.05 g/mol.
Where can I buy 1,3-Dicyano-2-propanol?
You can request a quote for 1,3-Dicyano-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dicyano-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dicyano-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.