![tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate structure](/static/products/5544/554412-18-9.webp)
tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate
TL;DR: tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate (CAS 554412-18-9) is a chemical compound with molecular formula C13H17F2NO2S and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate
Also Known As: Carbamicacid,[4-[ thio]phenyl]-,1,1-dimethylethylester, tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate, TERT-BUTYL N-{4-[(1,1-DIFLUOROETHYL)SULFANYL]PHENYL}CARBAMATE, Carbamic acid, [4-[(1,1-difluoroethyl)thio]phenyl]-, 1,1-dimethylethyl ester (9CI)
| Molecular Formula | C13H17F2NO2S |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 4.7384 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.09482 |
| Heavy Atoms | 19 |
| Complexity | 435.44183 |
Chemical Identifiers
| CAS Number | 554412-18-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)SC(C)(F)F |
Product Overview
tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate (CAS 554412-18-9), with molecular formula C13H17F2NO2S and molecular weight 289.09 g/mol. IUPAC: tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate.
Chemical Property Profile of tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate
Property Insights of tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate
The XLogP value of 4.7384 indicates that tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate 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 N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate?
The CAS number of tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate is 554412-18-9.
What is the molecular formula of tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate?
The molecular formula of tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate is C13H17F2NO2S.
What is the molecular weight of tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate?
The molecular weight of tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate is 289.09 g/mol.
Where can I buy tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate?
You can request a quote for tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[4-(1,1-difluoroethylsulfanyl)phenyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.