tert-Butyl 3-(hydroxymethyl)benzylcarbamate
TL;DR: tert-Butyl 3-(hydroxymethyl)benzylcarbamate (CAS 226070-69-5) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[[3-(hydroxymethyl)phenyl]methyl]carbamate
Also Known As: tert-Butyl 3-(hydroxymethyl)benzylcarbamate, N-Boc-3-(aminomethyl)benzyl Alcohol, (3-HYDROXYMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER, tert-butyl N-[[3-(hydroxymethyl)phenyl]methyl]carbamate, 1375AB
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 2.2036 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 382.49612 |
Chemical Identifiers
| CAS Number | 226070-69-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=CC(=CC=C1)CO |
Product Overview
tert-Butyl 3-(hydroxymethyl)benzylcarbamate (CAS 226070-69-5), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: tert-butyl N-[[3-(hydroxymethyl)phenyl]methyl]carbamate.
Chemical Property Profile of tert-Butyl 3-(hydroxymethyl)benzylcarbamate
Property Insights of tert-Butyl 3-(hydroxymethyl)benzylcarbamate
The XLogP value of 2.2036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 3-(hydroxymethyl)benzylcarbamate. With a topological polar surface area (TPSA) of 58.56 Ų, tert-Butyl 3-(hydroxymethyl)benzylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 3-(hydroxymethyl)benzylcarbamate has 2 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 tert-Butyl 3-(hydroxymethyl)benzylcarbamate?
The CAS number of tert-Butyl 3-(hydroxymethyl)benzylcarbamate is 226070-69-5.
What is the molecular formula of tert-Butyl 3-(hydroxymethyl)benzylcarbamate?
The molecular formula of tert-Butyl 3-(hydroxymethyl)benzylcarbamate is C13H19NO3.
What is the molecular weight of tert-Butyl 3-(hydroxymethyl)benzylcarbamate?
The molecular weight of tert-Butyl 3-(hydroxymethyl)benzylcarbamate is 237.14 g/mol.
Where can I buy tert-Butyl 3-(hydroxymethyl)benzylcarbamate?
You can request a quote for tert-Butyl 3-(hydroxymethyl)benzylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 3-(hydroxymethyl)benzylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 3-(hydroxymethyl)benzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.