Opera_ID_917
TL;DR: Opera_ID_917 (CAS 958952-12-0) is a chemical compound with molecular formula C20H29N3O6S2 and molecular weight 471.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[(1,1-dioxothiolan-3-yl)amino]-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
Also Known As: 1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid [(S)-1-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ylcarbamoyl)-ethyl]-amide, N-((2S)-1-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide, Opera_ID_917
| Molecular Formula | C20H29N3O6S2 |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 0.20372 |
| Topological Polar Surface Area | 129.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.14978 |
| Heavy Atoms | 31 |
| Complexity | 1029.1785 |
Chemical Identifiers
| CAS Number | 958952-12-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NC3CCS(=O)(=O)C3 |
Product Overview
Opera_ID_917 (CAS 958952-12-0), with molecular formula C20H29N3O6S2 and molecular weight 471.15 g/mol. IUPAC: N-[(2S)-1-[(1,1-dioxothiolan-3-yl)amino]-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
Chemical Property Profile of Opera_ID_917
Property Insights of Opera_ID_917
The XLogP value of 0.20372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_917. The TPSA of 129.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_917. Following Lipinski's Rule of Five, Opera_ID_917 has 2 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 Opera_ID_917?
The CAS number of Opera_ID_917 is 958952-12-0.
What is the molecular formula of Opera_ID_917?
The molecular formula of Opera_ID_917 is C20H29N3O6S2.
What is the molecular weight of Opera_ID_917?
The molecular weight of Opera_ID_917 is 471.15 g/mol.
Where can I buy Opera_ID_917?
You can request a quote for Opera_ID_917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_917?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.