N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester
TL;DR: N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester (CAS 85916-30-9) is a chemical compound with molecular formula C23H24N2O6S2 and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2,3-bis[(2-benzoylsulfanylacetyl)amino]propanoate
Also Known As: Carboxy dads, ethyl -2,3-bis[ amino]propanoate, N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester, ethyl (2S)-2,3-bis[(2-benzoylsulfanylacetyl)amino]propanoate, Alanine, N-((benzoylthio)acetyl)-3-(((benzoylthio)acetyl)amino)-, (2S-(2alpha,3alpha(S*),5alpha,6beta))-
| Molecular Formula | C23H24N2O6S2 |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 488.10757 |
| Heavy Atoms | 33 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 85916-30-9 |
|---|---|
| SMILES | CCOC(=O)[C@H](CNC(=O)CSC(=O)C1=CC=CC=C1)NC(=O)CSC(=O)C2=CC=CC=C2 |
| InChIKey | AVQVGLWOKIUHSY-SFHVURJKSA-N |
Product Overview
N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester (CAS 85916-30-9), with molecular formula C23H24N2O6S2 and molecular weight 488.11 g/mol. IUPAC: ethyl (2S)-2,3-bis[(2-benzoylsulfanylacetyl)amino]propanoate.
Chemical Property Profile of N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester
Property Insights of N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester
The XLogP value of 3.4 indicates that N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester has 2 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 N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester?
The CAS number of N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester is 85916-30-9.
What is the molecular formula of N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester?
The molecular formula of N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester is C23H24N2O6S2.
What is the molecular weight of N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester?
The molecular weight of N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester is 488.11 g/mol.
Where can I buy N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester?
You can request a quote for N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(S-benzoylmercaptoacetyl)-2,3-diaminopropionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.