2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol
TL;DR: 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol (CAS 339207-77-1) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol
Also Known As: 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol, CHEMBRDG-BB 6963959, Y-8402, 2-(benzylamino)-3-(1H-imidazol-5-yl)-1-propanol
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 339207-77-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(CC2=CN=CN2)CO |
| InChIKey | ARSAGVGSZLEXHZ-UHFFFAOYSA-N |
Product Overview
2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol (CAS 339207-77-1), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol.
Chemical Property Profile of 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol
Property Insights of 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol. Following Lipinski's Rule of Five, 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol has 3 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-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol?
The CAS number of 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol is 339207-77-1.
What is the molecular formula of 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol?
The molecular formula of 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol is C13H17N3O.
What is the molecular weight of 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol?
The molecular weight of 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol is 231.14 g/mol.
Where can I buy 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol?
You can request a quote for 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.