Ko 1313
TL;DR: Ko 1313 (CAS 38555-07-6) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
Also Known As: Ko 1313, Koe 1313, 2-Nitrilo-N-isopropyl phenoxypropanolamine, o-(2-Hydroxy-3-(isopropylamino)propoxy)benzonitrile, 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 38555-07-6 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC=C1C#N)O |
| InChIKey | YTTFGUYTPJYRBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ko 1313 (CAS 38555-07-6), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile.
Chemical Property Profile of Ko 1313
Property Insights of Ko 1313
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ko 1313. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ko 1313. Following Lipinski's Rule of Five, Ko 1313 has 2 hydrogen bond donor(s) and 4 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 Ko 1313?
The CAS number of Ko 1313 is 38555-07-6.
What is the molecular formula of Ko 1313?
The molecular formula of Ko 1313 is C13H18N2O2.
What is the molecular weight of Ko 1313?
The molecular weight of Ko 1313 is 234.14 g/mol.
Where can I buy Ko 1313?
You can request a quote for Ko 1313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ko 1313?
Yes, KEHONG BIO provides custom synthesis services for Ko 1313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.