2-(Butan-2-yl)phenyl hydrogen carbonimidate
TL;DR: 2-(Butan-2-yl)phenyl hydrogen carbonimidate (CAS 61005-12-7) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butan-2-ylphenyl) carbamate
Also Known As: o-sec-Butylphenyl carbamate, (2-butan-2-ylphenyl) carbamate, o-sec-Butylphenyl=carbamate, (2-Butan-2-ylphenyl)carbamate, 2-(butan-2-yl)phenyl carbamate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 61005-12-7 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1OC(=O)N |
| InChIKey | QLFPSZPGHNOLSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Butan-2-yl)phenyl hydrogen carbonimidate (CAS 61005-12-7), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: (2-butan-2-ylphenyl) carbamate.
Chemical Property Profile of 2-(Butan-2-yl)phenyl hydrogen carbonimidate
Property Insights of 2-(Butan-2-yl)phenyl hydrogen carbonimidate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butan-2-yl)phenyl hydrogen carbonimidate. With a topological polar surface area (TPSA) of 52.3 Ų, 2-(Butan-2-yl)phenyl hydrogen carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butan-2-yl)phenyl hydrogen carbonimidate 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 2-(Butan-2-yl)phenyl hydrogen carbonimidate?
The CAS number of 2-(Butan-2-yl)phenyl hydrogen carbonimidate is 61005-12-7.
What is the molecular formula of 2-(Butan-2-yl)phenyl hydrogen carbonimidate?
The molecular formula of 2-(Butan-2-yl)phenyl hydrogen carbonimidate is C11H15NO2.
What is the molecular weight of 2-(Butan-2-yl)phenyl hydrogen carbonimidate?
The molecular weight of 2-(Butan-2-yl)phenyl hydrogen carbonimidate is 193.11 g/mol.
Where can I buy 2-(Butan-2-yl)phenyl hydrogen carbonimidate?
You can request a quote for 2-(Butan-2-yl)phenyl hydrogen carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butan-2-yl)phenyl hydrogen carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butan-2-yl)phenyl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.