![tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate structure](/static/products/5779/577997-02-5.webp)
tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
TL;DR: tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate (CAS 577997-02-5) is a chemical compound with molecular formula C20H29N3O3S and molecular weight 391.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
Also Known As: tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate, tert-butyl (5-(5-((2-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate, tert-butyl (5-{5-[(2-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentyl)carbamate, tert-Butyl [5-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pentyl]carbamate, {5-[5-(2-Methyl-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pentyl}-carbamic acid tert-butyl ester
| Molecular Formula | C20H29N3O3S |
|---|---|
| Molecular Weight | 391.19 g/mol |
| LogP | 4.90782 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.19296 |
| Heavy Atoms | 27 |
| Complexity | 725.25714 |
Chemical Identifiers
| CAS Number | 577997-02-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NN=C(O2)CCCCCNC(=O)OC(C)(C)C |
Product Overview
tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate (CAS 577997-02-5), with molecular formula C20H29N3O3S and molecular weight 391.19 g/mol. IUPAC: tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate.
Chemical Property Profile of tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
Property Insights of tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
The XLogP value of 4.90782 indicates that tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate has 1 hydrogen bond donor(s) and 6 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-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate?
The CAS number of tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate is 577997-02-5.
What is the molecular formula of tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate?
The molecular formula of tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate is C20H29N3O3S.
What is the molecular weight of tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate?
The molecular weight of tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate is 391.19 g/mol.
Where can I buy tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate?
You can request a quote for tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-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 N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[5-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.