4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate
TL;DR: 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate (CAS 100789-69-3) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butan-2-ylphenyl) N-methylcarbamate
Also Known As: Geigy G-35234, ENT 25,759-X, (4-butan-2-ylphenyl) N-methylcarbamate, 4-(butan-2-yl)phenyl methylcarbamate, (4-Butan-2-ylphenyl)n-methylcarbamate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 100789-69-3 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)OC(=O)NC |
| InChIKey | SAHIEIKAICLWTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate (CAS 100789-69-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: (4-butan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate
Property Insights of 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate
The XLogP value of 3.2 indicates that 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate 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 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate?
The CAS number of 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate is 100789-69-3.
What is the molecular formula of 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate?
The molecular formula of 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate is C12H17NO2.
What is the molecular weight of 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate?
The molecular weight of 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate is 207.13 g/mol.
Where can I buy 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate?
You can request a quote for 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.