RB 101
TL;DR: RB 101 (CAS 135949-60-9) is a chemical compound with molecular formula C31H38N2O3S3 and molecular weight 582.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
RB 101
benzyl (2S)-2-[[2-[[[(2S)-2-amino-4-methylsulfanylbutyl]disulfanyl]methyl]-3-phenylpropanoyl]amino]-3-phenylpropanoate
Also Known As: RB 101, RB101, SID:104231668, benzyl (2S)-2-[[2-[[[(2S)-2-amino-4-methylsulfanylbutyl]disulfanyl]methyl]-3-phenylpropanoyl]amino]-3-phenylpropanoate, N-(2-Benzyl-3-((2-amino-4-methylthio)butyl dithio)-1-oxopropyl)phenylalanine benzyl ester
| Molecular Formula | C31H38N2O3S3 |
|---|---|
| Molecular Weight | 582.20 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 582.20447 |
| Heavy Atoms | 39 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 135949-60-9 |
|---|---|
| SMILES | CSCC[C@@H](CSSCC(CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)N |
| InChIKey | QXXMSEVVNUSHKJ-KEKPXRHTSA-N |
Product Overview
RB 101 (CAS 135949-60-9), with molecular formula C31H38N2O3S3 and molecular weight 582.20 g/mol. IUPAC: benzyl (2S)-2-[[2-[[[(2S)-2-amino-4-methylsulfanylbutyl]disulfanyl]methyl]-3-phenylpropanoyl]amino]-3-phenylpropanoate.
Chemical Property Profile of RB 101
Property Insights of RB 101
The XLogP value of 5.7 indicates that RB 101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting RB 101 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RB 101 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RB 101?
The CAS number of RB 101 is 135949-60-9.
What is the molecular formula of RB 101?
The molecular formula of RB 101 is C31H38N2O3S3.
What is the molecular weight of RB 101?
The molecular weight of RB 101 is 582.20 g/mol.
Where can I buy RB 101?
You can request a quote for RB 101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RB 101?
Yes, KEHONG BIO provides custom synthesis services for RB 101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.