Tert-butyl 4-chlorobenzoylcarbamate
TL;DR: Tert-butyl 4-chlorobenzoylcarbamate (CAS 120158-07-8) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-chlorobenzoyl)carbamate
Also Known As: tert-butyl 4-chlorobenzoylcarbamate, tert-butyl N-(4-chlorobenzoyl)carbamate, tert-butyl (4-chlorobenzoyl)carbamate, F3181-0065, AP-906/42285177
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 120158-07-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | RIMREVTWFVJWNL-UHFFFAOYSA-N |
Product Overview
Tert-butyl 4-chlorobenzoylcarbamate (CAS 120158-07-8), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: tert-butyl N-(4-chlorobenzoyl)carbamate.
Chemical Property Profile of Tert-butyl 4-chlorobenzoylcarbamate
Property Insights of Tert-butyl 4-chlorobenzoylcarbamate
The XLogP value of 3.0 indicates that Tert-butyl 4-chlorobenzoylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Tert-butyl 4-chlorobenzoylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-chlorobenzoylcarbamate 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 Tert-butyl 4-chlorobenzoylcarbamate?
The CAS number of Tert-butyl 4-chlorobenzoylcarbamate is 120158-07-8.
What is the molecular formula of Tert-butyl 4-chlorobenzoylcarbamate?
The molecular formula of Tert-butyl 4-chlorobenzoylcarbamate is C12H14ClNO3.
What is the molecular weight of Tert-butyl 4-chlorobenzoylcarbamate?
The molecular weight of Tert-butyl 4-chlorobenzoylcarbamate is 255.07 g/mol.
Where can I buy Tert-butyl 4-chlorobenzoylcarbamate?
You can request a quote for Tert-butyl 4-chlorobenzoylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-chlorobenzoylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-chlorobenzoylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.