2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol
TL;DR: 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol (CAS 7461-01-0) is a chemical compound with molecular formula C11H14ClNO4 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: N-(3-Chlorophenyl)pentofuranosylamine, 2-(3-chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C11H14ClNO4 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.06113 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 7461-01-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC2C(C(C(O2)CO)O)O |
| InChIKey | BYAAZZCZYADLAM-UHFFFAOYSA-N |
Product Overview
2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol (CAS 7461-01-0), with molecular formula C11H14ClNO4 and molecular weight 259.06 g/mol. IUPAC: 2-(3-chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol
Property Insights of 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol. Following Lipinski's Rule of Five, 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-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 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol?
The CAS number of 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol is 7461-01-0.
What is the molecular formula of 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol?
The molecular formula of 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol is C11H14ClNO4.
What is the molecular weight of 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol?
The molecular weight of 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol is 259.06 g/mol.
Where can I buy 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol?
You can request a quote for 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.