Benzoral
TL;DR: Benzoral (CAS 60196-87-4) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
Also Known As: Benzodixine, Benzoral, KST-1B1246, BAS 00669520, 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 60196-87-4 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC2=C1OCCO2)O |
| InChIKey | NLUUGSAKIXOSLG-UHFFFAOYSA-N |
Product Overview
Benzoral (CAS 60196-87-4), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol.
Chemical Property Profile of Benzoral
Property Insights of Benzoral
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoral. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoral. Following Lipinski's Rule of Five, Benzoral has 2 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 Benzoral?
The CAS number of Benzoral is 60196-87-4.
What is the molecular formula of Benzoral?
The molecular formula of Benzoral is C14H21NO4.
What is the molecular weight of Benzoral?
The molecular weight of Benzoral is 267.15 g/mol.
Where can I buy Benzoral?
You can request a quote for Benzoral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoral?
Yes, KEHONG BIO provides custom synthesis services for Benzoral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.