![tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate structure](/static/products/7323/73236-85-8.webp)
tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate
TL;DR: tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate (CAS 73236-85-8) is a chemical compound with molecular formula C12H21NO3S and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(acetylsulfanylmethyl)pyrrolidine-1-carboxylate
Also Known As: tert-Butyl2-[ methyl]-1-pyrrolidinecarboxylate, tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate, tert-butyl 2-(acetylsulfanylmethyl)pyrrolidine-1-carboxylate, 2-Acetylthiomethylpyrrolidine-1-carboxylic acid, t-butyl ester, tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate #
| Molecular Formula | C12H21NO3S |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.1242 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 73236-85-8 |
|---|---|
| SMILES | CC(=O)SCC1CCCN1C(=O)OC(C)(C)C |
| InChIKey | NGXUUBLQERVXAJ-UHFFFAOYSA-N |
Product Overview
tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate (CAS 73236-85-8), with molecular formula C12H21NO3S and molecular weight 259.12 g/mol. IUPAC: tert-butyl 2-(acetylsulfanylmethyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate
Property Insights of tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate has 0 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 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate?
The CAS number of tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate is 73236-85-8.
What is the molecular formula of tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate?
The molecular formula of tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate is C12H21NO3S.
What is the molecular weight of tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate?
The molecular weight of tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate is 259.12 g/mol.
Where can I buy tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate?
You can request a quote for tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.