2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide
TL;DR: 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide (CAS 76833-40-4) is a chemical compound with molecular formula C14H21NO3S and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide
Also Known As: 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide, 2,4-dihydroxy-3,3-dimethyl-n-[2-(phenylsulfanyl)ethyl]butanamide, 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanami
| Molecular Formula | C14H21NO3S |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.1242 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 76833-40-4 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)NCCSC1=CC=CC=C1)O |
| InChIKey | PVVYCHZEUSXOKM-UHFFFAOYSA-N |
Product Overview
2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide (CAS 76833-40-4), with molecular formula C14H21NO3S and molecular weight 283.12 g/mol. IUPAC: 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide.
Chemical Property Profile of 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide
Property Insights of 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide. Following Lipinski's Rule of Five, 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide has 3 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 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide?
The CAS number of 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide is 76833-40-4.
What is the molecular formula of 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide?
The molecular formula of 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide is C14H21NO3S.
What is the molecular weight of 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide?
The molecular weight of 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide is 283.12 g/mol.
Where can I buy 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide?
You can request a quote for 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.