1,3-Propanediol, 2-phenoxy-
TL;DR: 1,3-Propanediol, 2-phenoxy- (CAS 5800-08-8) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxypropane-1,3-diol
Also Known As: 2-phenylglycerol, 2-phenoxypropane-1,3-diol, 1,3-Propanediol, 2-phenoxy-, 2-Phenoxy-1,3-propanediol, NIOSH/TZ1051000
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.4186 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 206.27345 |
Chemical Identifiers
| CAS Number | 5800-08-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(CO)CO |
Product Overview
1,3-Propanediol, 2-phenoxy- (CAS 5800-08-8), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 2-phenoxypropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-phenoxy-
Property Insights of 1,3-Propanediol, 2-phenoxy-
The XLogP value of 0.4186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-phenoxy-. With a topological polar surface area (TPSA) of 49.69 Ų, 1,3-Propanediol, 2-phenoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-phenoxy- has 2 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-Propanediol, 2-phenoxy-?
The CAS number of 1,3-Propanediol, 2-phenoxy- is 5800-08-8.
What is the molecular formula of 1,3-Propanediol, 2-phenoxy-?
The molecular formula of 1,3-Propanediol, 2-phenoxy- is C9H12O3.
What is the molecular weight of 1,3-Propanediol, 2-phenoxy-?
The molecular weight of 1,3-Propanediol, 2-phenoxy- is 168.08 g/mol.
Where can I buy 1,3-Propanediol, 2-phenoxy-?
You can request a quote for 1,3-Propanediol, 2-phenoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-phenoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-phenoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.