C18H22ClN3O3S
TL;DR: C18H22ClN3O3S (CAS 1173676-30-6) is a chemical compound with molecular formula C18H22ClN3O3S and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Also Known As: (S)-tert-butyl 2-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, (S)-2-[5-(3-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester, tert-butyl (2S)-2-{5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyrrolidine-1-carboxylate, tert-butyl (2S)-2-{5-[(3-chlorophenyl)methylthio](1,3,4-oxadiazol-2-yl)}pyrrol idinecarboxylate, TERT-BUTYL 2-(5-{[(3-CHLOROPHENYL)METHYL]SULFANYL}-1,3,4-OXADIAZOL-2-YL)PYRROLIDINE-1-CARBOXYLATE
| Molecular Formula | C18H22ClN3O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 5.0873 |
| Topological Polar Surface Area | 68.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.10703 |
| Heavy Atoms | 26 |
| Complexity | 775.037 |
Chemical Identifiers
| CAS Number | 1173676-30-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC3=CC(=CC=C3)Cl |
Product Overview
C18H22ClN3O3S (CAS 1173676-30-6), with molecular formula C18H22ClN3O3S and molecular weight 395.11 g/mol. IUPAC: tert-butyl (2S)-2-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate.
Chemical Property Profile of C18H22ClN3O3S
Property Insights of C18H22ClN3O3S
The XLogP value of 5.0873 indicates that C18H22ClN3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.46 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H22ClN3O3S. Following Lipinski's Rule of Five, C18H22ClN3O3S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H22ClN3O3S?
The CAS number of C18H22ClN3O3S is 1173676-30-6.
What is the molecular formula of C18H22ClN3O3S?
The molecular formula of C18H22ClN3O3S is C18H22ClN3O3S.
What is the molecular weight of C18H22ClN3O3S?
The molecular weight of C18H22ClN3O3S is 395.11 g/mol.
Where can I buy C18H22ClN3O3S?
You can request a quote for C18H22ClN3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H22ClN3O3S?
Yes, KEHONG BIO provides custom synthesis services for C18H22ClN3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.