oxan-2-ylmethyl N-phenylcarbamate
TL;DR: oxan-2-ylmethyl N-phenylcarbamate (CAS 3357-45-7) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxan-2-ylmethyl N-phenylcarbamate
Also Known As: oxan-2-ylmethyl N-phenylcarbamate, (Oxan-2-yl)methyl phenylcarbamate, Pyran-2-methanol, tetrahydro-,carbanilate, tetrahydropyran-2-ylmethyl N-phenylcarbamate, Phenyl-carbamidsaeure-tetrahydropyran-2-ylmethylester
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 3357-45-7 |
|---|---|
| SMILES | C1CCOC(C1)COC(=O)NC2=CC=CC=C2 |
| InChIKey | RJRVQXYDLDHNDL-UHFFFAOYSA-N |
Product Overview
oxan-2-ylmethyl N-phenylcarbamate (CAS 3357-45-7), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: oxan-2-ylmethyl N-phenylcarbamate.
Chemical Property Profile of oxan-2-ylmethyl N-phenylcarbamate
Property Insights of oxan-2-ylmethyl N-phenylcarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for oxan-2-ylmethyl N-phenylcarbamate. With a topological polar surface area (TPSA) of 47.6 Ų, oxan-2-ylmethyl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, oxan-2-ylmethyl N-phenylcarbamate has 1 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 oxan-2-ylmethyl N-phenylcarbamate?
The CAS number of oxan-2-ylmethyl N-phenylcarbamate is 3357-45-7.
What is the molecular formula of oxan-2-ylmethyl N-phenylcarbamate?
The molecular formula of oxan-2-ylmethyl N-phenylcarbamate is C13H17NO3.
What is the molecular weight of oxan-2-ylmethyl N-phenylcarbamate?
The molecular weight of oxan-2-ylmethyl N-phenylcarbamate is 235.12 g/mol.
Where can I buy oxan-2-ylmethyl N-phenylcarbamate?
You can request a quote for oxan-2-ylmethyl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for oxan-2-ylmethyl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for oxan-2-ylmethyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.