![1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate structure](/static/products/124/1245700-94-0.png)
1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate
TL;DR: 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate (CAS 1245700-94-0) is a chemical compound with molecular formula C20H25N3O5S and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]carbamate
Also Known As: 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate, tert-Butyl (4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)carbamate, tert-butyl N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]carbamate
| Molecular Formula | C20H25N3O5S |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 2.6535 |
| Topological Polar Surface Area | 127.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1515 |
| Heavy Atoms | 29 |
| Complexity | 962.6714 |
Chemical Identifiers
| CAS Number | 1245700-94-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate (CAS 1245700-94-0), with molecular formula C20H25N3O5S and molecular weight 419.15 g/mol. IUPAC: tert-butyl N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]carbamate.
Chemical Property Profile of 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate
Property Insights of 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate
The XLogP value of 2.6535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate. The TPSA of 127.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate. Following Lipinski's Rule of Five, 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate has 3 hydrogen bond donor(s) and 5 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 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate?
The CAS number of 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate is 1245700-94-0.
What is the molecular formula of 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate?
The molecular formula of 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate is C20H25N3O5S.
What is the molecular weight of 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate?
The molecular weight of 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate is 419.15 g/mol.
Where can I buy 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate?
You can request a quote for 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl N-[4-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.