(3-Hydroxyoxan-2-yl) 3-chlorobenzoate
TL;DR: (3-Hydroxyoxan-2-yl) 3-chlorobenzoate (CAS 1334610-35-3) is a chemical compound with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxyoxan-2-yl) 3-chlorobenzoate
Also Known As: (3-hydroxyoxan-2-yl) 3-chlorobenzoate, 3-hydroxytetrahydro-2H-pyran-2-yl 3-chlorobenzoate
| Molecular Formula | C12H13ClO4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 1.9942 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.05023 |
| Heavy Atoms | 17 |
| Complexity | 407.24704 |
Chemical Identifiers
| CAS Number | 1334610-35-3 |
|---|---|
| SMILES | C1CC(C(OC1)OC(=O)C2=CC(=CC=C2)Cl)O |
Product Overview
(3-Hydroxyoxan-2-yl) 3-chlorobenzoate (CAS 1334610-35-3), with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol. IUPAC: (3-hydroxyoxan-2-yl) 3-chlorobenzoate.
Chemical Property Profile of (3-Hydroxyoxan-2-yl) 3-chlorobenzoate
Property Insights of (3-Hydroxyoxan-2-yl) 3-chlorobenzoate
The XLogP value of 1.9942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Hydroxyoxan-2-yl) 3-chlorobenzoate. With a topological polar surface area (TPSA) of 55.76 Ų, (3-Hydroxyoxan-2-yl) 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Hydroxyoxan-2-yl) 3-chlorobenzoate has 1 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 (3-Hydroxyoxan-2-yl) 3-chlorobenzoate?
The CAS number of (3-Hydroxyoxan-2-yl) 3-chlorobenzoate is 1334610-35-3.
What is the molecular formula of (3-Hydroxyoxan-2-yl) 3-chlorobenzoate?
The molecular formula of (3-Hydroxyoxan-2-yl) 3-chlorobenzoate is C12H13ClO4.
What is the molecular weight of (3-Hydroxyoxan-2-yl) 3-chlorobenzoate?
The molecular weight of (3-Hydroxyoxan-2-yl) 3-chlorobenzoate is 256.05 g/mol.
Where can I buy (3-Hydroxyoxan-2-yl) 3-chlorobenzoate?
You can request a quote for (3-Hydroxyoxan-2-yl) 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Hydroxyoxan-2-yl) 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Hydroxyoxan-2-yl) 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.