3-(N-Phenylamino)-1,2-propanediol
TL;DR: 3-(N-Phenylamino)-1,2-propanediol (CAS 5840-15-3) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilinopropane-1,2-diol
Also Known As: 3-Anilinopropane-1,2-diol, 3-Phenylamino-1,2-propanediol, 3-anilinopropylene glycol, 3-(phenylamino)propane-1,2-diol, 1,2-Propanediol, 3-anilino-
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 5840-15-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC(CO)O |
| InChIKey | INHHFZUVCCBNTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(N-Phenylamino)-1,2-propanediol (CAS 5840-15-3), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 3-anilinopropane-1,2-diol.
Chemical Property Profile of 3-(N-Phenylamino)-1,2-propanediol
Property Insights of 3-(N-Phenylamino)-1,2-propanediol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-Phenylamino)-1,2-propanediol. With a topological polar surface area (TPSA) of 52.5 Ų, 3-(N-Phenylamino)-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(N-Phenylamino)-1,2-propanediol 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 3-(N-Phenylamino)-1,2-propanediol?
The CAS number of 3-(N-Phenylamino)-1,2-propanediol is 5840-15-3.
What is the molecular formula of 3-(N-Phenylamino)-1,2-propanediol?
The molecular formula of 3-(N-Phenylamino)-1,2-propanediol is C9H13NO2.
What is the molecular weight of 3-(N-Phenylamino)-1,2-propanediol?
The molecular weight of 3-(N-Phenylamino)-1,2-propanediol is 167.09 g/mol.
Where can I buy 3-(N-Phenylamino)-1,2-propanediol?
You can request a quote for 3-(N-Phenylamino)-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-Phenylamino)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-Phenylamino)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.