1-Phenyl-1,3-propanediol
TL;DR: 1-Phenyl-1,3-propanediol (CAS 77587-70-3) is a chemical compound with molecular formula C16H23IN4O and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]butan-1-ol;hydroiodide
Also Known As: 1-Phenyl-1,3-propanediol, 3-((N-Butan-4-ol-N-imidazolin-2-ylamino)methyl)indole hydroiodide, 1-((4,5-Dihydro-1H-imidazol-2-yl)(1H-indol-3-ylmethyl)amino)-1-butanol monohydroiodide, 1-Butanol, 1-((4,5-dihydro-1H-imidazol-2-yl)(1H-indol-3-ylmethyl)amino)-, monohydroiodide, 1-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]butan-1-ol hydroiodide
| Molecular Formula | C16H23IN4O |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 2.6656 |
| Topological Polar Surface Area | 63.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.09167 |
| Heavy Atoms | 22 |
| Complexity | 639.8624 |
Chemical Identifiers
| CAS Number | 77587-70-3 |
|---|---|
| SMILES | CCCC(N(CC1=CNC2=CC=CC=C21)C3=NCCN3)O.I |
Product Overview
1-Phenyl-1,3-propanediol (CAS 77587-70-3), with molecular formula C16H23IN4O and molecular weight 414.09 g/mol. IUPAC: 1-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]butan-1-ol;hydroiodide.
Chemical Property Profile of 1-Phenyl-1,3-propanediol
Property Insights of 1-Phenyl-1,3-propanediol
The XLogP value of 2.6656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1,3-propanediol. The TPSA of 63.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-1,3-propanediol. Following Lipinski's Rule of Five, 1-Phenyl-1,3-propanediol has 3 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 1-Phenyl-1,3-propanediol?
The CAS number of 1-Phenyl-1,3-propanediol is 77587-70-3.
What is the molecular formula of 1-Phenyl-1,3-propanediol?
The molecular formula of 1-Phenyl-1,3-propanediol is C16H23IN4O.
What is the molecular weight of 1-Phenyl-1,3-propanediol?
The molecular weight of 1-Phenyl-1,3-propanediol is 414.09 g/mol.
Where can I buy 1-Phenyl-1,3-propanediol?
You can request a quote for 1-Phenyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.