Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide
TL;DR: Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide (CAS 64567-63-1) is a chemical compound with molecular formula C18H36N2O6S2 and molecular weight 440.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-N-[2-[2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-methylamino]ethyldisulfanyl]ethyl]-2,4-dihydroxy-N,3,3-trimethylbutanamide
Also Known As: Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide, Bis(N-methylpantoyl-beta-aminoethyl) disulfide, Butanamide, N,N'-(dithiodi-2,1-ethanediyl)bis(2,4-dihydroxy-N,3,3-trimethyl-, (R-(R*,R*))-, N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis(2,4-dihydroxy-N,3,3-trimethylbutanamide), (2R)-N-[2-[2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-methylamino]ethyldisulfanyl]ethyl]-2,4-dihydroxy-N,3,3-trimethylbutanamide
| Molecular Formula | C18H36N2O6S2 |
|---|---|
| Molecular Weight | 440.20 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 440.20148 |
| Heavy Atoms | 28 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 64567-63-1 |
|---|---|
| SMILES | CC(C)(CO)[C@H](C(=O)N(C)CCSSCCN(C)C(=O)[C@@H](C(C)(C)CO)O)O |
| InChIKey | RUHOELOZMGPPDG-KBPBESRZSA-N |
Product Overview
Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide (CAS 64567-63-1), with molecular formula C18H36N2O6S2 and molecular weight 440.20 g/mol. IUPAC: (2R)-N-[2-[2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-methylamino]ethyldisulfanyl]ethyl]-2,4-dihydroxy-N,3,3-trimethylbutanamide.
Chemical Property Profile of Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide
Property Insights of Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide
The XLogP value of -0.3 indicates that Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide has 4 hydrogen bond donor(s) and 8 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 Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide?
The CAS number of Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide is 64567-63-1.
What is the molecular formula of Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide?
The molecular formula of Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide is C18H36N2O6S2.
What is the molecular weight of Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide?
The molecular weight of Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide is 440.20 g/mol.
Where can I buy Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide?
You can request a quote for Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide?
Yes, KEHONG BIO provides custom synthesis services for Bis(N-Methyl pantoyl-beta-aminoethyl)disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.