tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
TL;DR: tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 585559-93-9) is a chemical compound with molecular formula C21H29ClN4O4S and molecular weight 468.16 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-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
Also Known As: tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate, tert-butyl {5-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]pentyl}carbamate, tert-butyl N-[5-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
| Molecular Formula | C21H29ClN4O4S |
|---|---|
| Molecular Weight | 468.16 g/mol |
| LogP | 4.99972 |
| Topological Polar Surface Area | 106.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.1598 |
| Heavy Atoms | 31 |
| Complexity | 882.50494 |
Chemical Identifiers
| CAS Number | 585559-93-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(O2)CCCCCNC(=O)OC(C)(C)C |
Product Overview
tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 585559-93-9), with molecular formula C21H29ClN4O4S and molecular weight 468.16 g/mol. IUPAC: tert-butyl N-[5-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate.
Chemical Property Profile of tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
Property Insights of tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
The XLogP value of 4.99972 indicates that tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)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 106.35 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate. Following Lipinski's Rule of Five, tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)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-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The CAS number of tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 585559-93-9.
What is the molecular formula of tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular formula of tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is C21H29ClN4O4S.
What is the molecular weight of tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular weight of tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 468.16 g/mol.
Where can I buy tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
You can request a quote for tert-butyl (5-(5-((2-((3-chloro-2-methylphenyl)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-chloro-2-methylphenyl)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-chloro-2-methylphenyl)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.