tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
TL;DR: tert-Butyl 4-carbamothioylpiperidine-1-carboxylate (CAS 214839-95-9) is a chemical compound with molecular formula C11H20N2O2S and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Also Known As: tert-butyl 4-carbamothioylpiperidine-1-carboxylate, 1-Boc-4-thiocarbamoylpiperidine, 1-tert-Butoxycarbonylpiperidine-4-carbothioamide, tert-Butyl 4-(Aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate, 1-Boc-piperidine-4-carbothioamide
| Molecular Formula | C11H20N2O2S |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 1.9196 |
| Topological Polar Surface Area | 55.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.12454 |
| Heavy Atoms | 16 |
| Complexity | 278.19937 |
Chemical Identifiers
| CAS Number | 214839-95-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N |
Product Overview
tert-Butyl 4-carbamothioylpiperidine-1-carboxylate (CAS 214839-95-9), with molecular formula C11H20N2O2S and molecular weight 244.12 g/mol. IUPAC: tert-butyl 4-carbamothioylpiperidine-1-carboxylate.
Chemical Property Profile of tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
Property Insights of tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
The XLogP value of 1.9196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 4-carbamothioylpiperidine-1-carboxylate. With a topological polar surface area (TPSA) of 55.56 Ų, tert-Butyl 4-carbamothioylpiperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 4-carbamothioylpiperidine-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 4-carbamothioylpiperidine-1-carboxylate?
The CAS number of tert-Butyl 4-carbamothioylpiperidine-1-carboxylate is 214839-95-9.
What is the molecular formula of tert-Butyl 4-carbamothioylpiperidine-1-carboxylate?
The molecular formula of tert-Butyl 4-carbamothioylpiperidine-1-carboxylate is C11H20N2O2S.
What is the molecular weight of tert-Butyl 4-carbamothioylpiperidine-1-carboxylate?
The molecular weight of tert-Butyl 4-carbamothioylpiperidine-1-carboxylate is 244.12 g/mol.
Where can I buy tert-Butyl 4-carbamothioylpiperidine-1-carboxylate?
You can request a quote for tert-Butyl 4-carbamothioylpiperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 4-carbamothioylpiperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 4-carbamothioylpiperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.