3-Tert-butylphenyl sec-butylcarbamate
TL;DR: 3-Tert-butylphenyl sec-butylcarbamate (CAS 97508-29-7) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butylphenyl) N-butan-2-ylcarbamate
Also Known As: 3-Tbkpbc, 3-tert-Butylphenyl sec-butylcarbamate, 3-tert-butylphenylsec-butylcarbamate, 3-t-butylphenyl s-butylcarbamate, (3-tert-butylphenyl) N-butan-2-ylcarbamate
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 97508-29-7 |
|---|---|
| SMILES | CCC(C)NC(=O)OC1=CC=CC(=C1)C(C)(C)C |
| InChIKey | CLBKYQXZXVDEPG-UHFFFAOYSA-N |
Product Overview
3-Tert-butylphenyl sec-butylcarbamate (CAS 97508-29-7), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: (3-tert-butylphenyl) N-butan-2-ylcarbamate.
Chemical Property Profile of 3-Tert-butylphenyl sec-butylcarbamate
Property Insights of 3-Tert-butylphenyl sec-butylcarbamate
The XLogP value of 4.3 indicates that 3-Tert-butylphenyl sec-butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 3-Tert-butylphenyl sec-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butylphenyl sec-butylcarbamate has 1 hydrogen bond donor(s) and 2 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-Tert-butylphenyl sec-butylcarbamate?
The CAS number of 3-Tert-butylphenyl sec-butylcarbamate is 97508-29-7.
What is the molecular formula of 3-Tert-butylphenyl sec-butylcarbamate?
The molecular formula of 3-Tert-butylphenyl sec-butylcarbamate is C15H23NO2.
What is the molecular weight of 3-Tert-butylphenyl sec-butylcarbamate?
The molecular weight of 3-Tert-butylphenyl sec-butylcarbamate is 249.17 g/mol.
Where can I buy 3-Tert-butylphenyl sec-butylcarbamate?
You can request a quote for 3-Tert-butylphenyl sec-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butylphenyl sec-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butylphenyl sec-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.