tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate
TL;DR: tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate (CAS 886502-44-9) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[4-(5-formylthiophen-2-yl)phenyl]carbamate
Also Known As: tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate, tert-butyl N-[4-(5-formylthiophen-2-yl)phenyl]carbamate, tert-Butyl(4-(5-formylthiophen-2-yl)phenyl)carbamate, [4-(5-Formyl-thiophen-2-yl)-phenyl]-carbamic acid tert-butyl ester
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 4.5746 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 638.28687 |
Chemical Identifiers
| CAS Number | 886502-44-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(S2)C=O |
Product Overview
tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate (CAS 886502-44-9), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: tert-butyl N-[4-(5-formylthiophen-2-yl)phenyl]carbamate.
Chemical Property Profile of tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate
Property Insights of tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate
The XLogP value of 4.5746 indicates that tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate 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-(5-formylthiophen-2-yl)phenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate has 1 hydrogen bond donor(s) and 4 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-(5-formylthiophen-2-yl)phenyl)carbamate?
The CAS number of tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate is 886502-44-9.
What is the molecular formula of tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate?
The molecular formula of tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate is C16H17NO3S.
What is the molecular weight of tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate?
The molecular weight of tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate is 303.09 g/mol.
Where can I buy tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate?
You can request a quote for tert-Butyl (4-(5-formylthiophen-2-yl)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 (4-(5-formylthiophen-2-yl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (4-(5-formylthiophen-2-yl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.