3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate
TL;DR: 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate (CAS 2313-91-9) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butylphenyl) N-(2-oxopropyl)carbamate
Also Known As: Upjohn U-24157, ENT 27,264, 3-tert-butylphenyl(2-oxopropyl)carbamate, (3-tert-butylphenyl) N-(2-oxopropyl)carbamate, AI3-27264
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 2313-91-9 |
|---|---|
| SMILES | CC(=O)CNC(=O)OC1=CC=CC(=C1)C(C)(C)C |
| InChIKey | VFVUAGKORQNCTL-UHFFFAOYSA-N |
Product Overview
3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate (CAS 2313-91-9), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: (3-tert-butylphenyl) N-(2-oxopropyl)carbamate.
Chemical Property Profile of 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate
Property Insights of 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate. With a topological polar surface area (TPSA) of 55.4 Ų, 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate 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 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate?
The CAS number of 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate is 2313-91-9.
What is the molecular formula of 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate?
The molecular formula of 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate is C14H19NO3.
What is the molecular weight of 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate?
The molecular weight of 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate is 249.14 g/mol.
Where can I buy 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate?
You can request a quote for 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate 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 hydrogen (2-oxopropyl)carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butylphenyl hydrogen (2-oxopropyl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.