3,3'-(Phenylimino)bispropane-1,2-diol
TL;DR: 3,3'-(Phenylimino)bispropane-1,2-diol (CAS 57302-22-4) is a chemical compound with molecular formula C12H19NO4 and molecular weight 241.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2,3-dihydroxypropyl)anilino]propane-1,2-diol
Also Known As: 2-bromo-3-fluoro-butane, 3,3'-(Phenylimino)bispropane-1,2-diol, 3,3'-(phenylimino)dipropane-1,2-diol, 1,2-Propanediol,3,3'-(phenylimino)bis-, 3,3 -(Phenylimino)bis(1,2-propanediol)
| Molecular Formula | C12H19NO4 |
|---|---|
| Molecular Weight | 241.13 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 241.13141 |
| Heavy Atoms | 17 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 57302-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CC(CO)O)CC(CO)O |
| InChIKey | ZLWISTXMEPFPSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-(Phenylimino)bispropane-1,2-diol (CAS 57302-22-4), with molecular formula C12H19NO4 and molecular weight 241.13 g/mol. IUPAC: 3-[N-(2,3-dihydroxypropyl)anilino]propane-1,2-diol.
Chemical Property Profile of 3,3'-(Phenylimino)bispropane-1,2-diol
Property Insights of 3,3'-(Phenylimino)bispropane-1,2-diol
The XLogP value of -0.6 indicates that 3,3'-(Phenylimino)bispropane-1,2-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(Phenylimino)bispropane-1,2-diol. Following Lipinski's Rule of Five, 3,3'-(Phenylimino)bispropane-1,2-diol has 4 hydrogen bond donor(s) and 5 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 3,3'-(Phenylimino)bispropane-1,2-diol?
The CAS number of 3,3'-(Phenylimino)bispropane-1,2-diol is 57302-22-4.
What is the molecular formula of 3,3'-(Phenylimino)bispropane-1,2-diol?
The molecular formula of 3,3'-(Phenylimino)bispropane-1,2-diol is C12H19NO4.
What is the molecular weight of 3,3'-(Phenylimino)bispropane-1,2-diol?
The molecular weight of 3,3'-(Phenylimino)bispropane-1,2-diol is 241.13 g/mol.
Where can I buy 3,3'-(Phenylimino)bispropane-1,2-diol?
You can request a quote for 3,3'-(Phenylimino)bispropane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(Phenylimino)bispropane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(Phenylimino)bispropane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.