Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid
TL;DR: Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid (CAS 7454-54-8) is a chemical compound with molecular formula C24H27NO5S2 and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-amino-3-benzylsulfanylpropanoate;4-methylbenzenesulfonic acid
Also Known As: L-Cys(Bzl)-OBzl TosOH, H-Cys(Bzl)-OBzl . p-tosylate, CYSTEINE(BZL)-OBZL P-TOSYLATE, H-Cys(bzl)-obzl Tosylate Salt, H-CYS(BZL)-OBZL P-TOSYLATE
| Molecular Formula | C24H27NO5S2 |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 4.23222 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.13306 |
| Heavy Atoms | 32 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 7454-54-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CSCC2=CC=CC=C2)N |
| InChIKey | PAOXTFAXWXQKPW-UHFFFAOYSA-N |
Product Overview
Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid (CAS 7454-54-8), with molecular formula C24H27NO5S2 and molecular weight 473.13 g/mol. IUPAC: benzyl 2-amino-3-benzylsulfanylpropanoate;4-methylbenzenesulfonic acid.
Chemical Property Profile of Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid
Property Insights of Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid
The XLogP value of 4.23222 indicates that Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid has 2 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 Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid?
The CAS number of Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid is 7454-54-8.
What is the molecular formula of Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid?
The molecular formula of Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid is C24H27NO5S2.
What is the molecular weight of Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid?
The molecular weight of Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid is 473.13 g/mol.
Where can I buy Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid?
You can request a quote for Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.