(S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid
TL;DR: (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid (CAS 958960-93-5) is a chemical compound with molecular formula C20H29N3O6S and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid
Also Known As: (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid, 2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid
| Molecular Formula | C20H29N3O6S |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.1777 |
| Heavy Atoms | 30 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 958960-93-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCC(CC2)C(=O)NCC(=O)O |
| InChIKey | VPQUDVLMVQVANX-SFHVURJKSA-N |
Product Overview
(S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid (CAS 958960-93-5), with molecular formula C20H29N3O6S and molecular weight 439.18 g/mol. IUPAC: 2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid.
Chemical Property Profile of (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid
Property Insights of (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid has 3 hydrogen bond donor(s) and 7 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 (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid?
The CAS number of (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid is 958960-93-5.
What is the molecular formula of (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid?
The molecular formula of (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid is C20H29N3O6S.
What is the molecular weight of (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid?
The molecular weight of (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid is 439.18 g/mol.
Where can I buy (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid?
You can request a quote for (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(1-(3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.