tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
TL;DR: tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 577988-22-8) is a chemical compound with molecular formula C20H27ClN4O4S and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[5-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
Also Known As: tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate, tert-butyl {5-[5-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]pentyl}carbamate, tert-butyl N-[5-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate, REGID_for_CID_662823
| Molecular Formula | C20H27ClN4O4S |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 454.14417 |
| Heavy Atoms | 30 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 577988-22-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCCCCC1=NN=C(O1)SCC(=O)NC2=CC(=CC=C2)Cl |
| InChIKey | DRVPWUQBSJLTMB-UHFFFAOYSA-N |
Product Overview
tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 577988-22-8), with molecular formula C20H27ClN4O4S and molecular weight 454.14 g/mol. IUPAC: tert-butyl N-[5-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate.
Chemical Property Profile of tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
Property Insights of tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
The XLogP value of 4.2 indicates that tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate. Following Lipinski's Rule of Five, tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate has 2 hydrogen bond donor(s) and 7 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 (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The CAS number of tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 577988-22-8.
What is the molecular formula of tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular formula of tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is C20H27ClN4O4S.
What is the molecular weight of tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular weight of tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 454.14 g/mol.
Where can I buy tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
You can request a quote for tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)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 (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (5-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.