O-benzyl-L-tyrosine toluene-p-sulphonate
TL;DR: O-benzyl-L-tyrosine toluene-p-sulphonate (CAS 53587-11-4) is a chemical compound with molecular formula C23H25NO6S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;4-methylbenzenesulfonic acid
Also Known As: H-Tyr-OBzl.TosOH, L-Tyrosine benzyl ester tosylate, H-Tyr-Obzl.Tos, Tyr-OBzl TosOH, L-Tyrosine Benzyl Ester p-Toluenesulfonate
| Molecular Formula | C23H25NO6S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 3.25 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.14026 |
| Heavy Atoms | 31 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 53587-11-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=C(C=C2)O)N |
| InChIKey | PJGVHBLZZQDFFM-RSAXXLAASA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-benzyl-L-tyrosine toluene-p-sulphonate (CAS 53587-11-4), with molecular formula C23H25NO6S and molecular weight 443.14 g/mol. IUPAC: benzyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;4-methylbenzenesulfonic acid.
Chemical Property Profile of O-benzyl-L-tyrosine toluene-p-sulphonate
Property Insights of O-benzyl-L-tyrosine toluene-p-sulphonate
The XLogP value of 3.25 indicates that O-benzyl-L-tyrosine toluene-p-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-benzyl-L-tyrosine toluene-p-sulphonate. Following Lipinski's Rule of Five, O-benzyl-L-tyrosine toluene-p-sulphonate has 3 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 O-benzyl-L-tyrosine toluene-p-sulphonate?
The CAS number of O-benzyl-L-tyrosine toluene-p-sulphonate is 53587-11-4.
What is the molecular formula of O-benzyl-L-tyrosine toluene-p-sulphonate?
The molecular formula of O-benzyl-L-tyrosine toluene-p-sulphonate is C23H25NO6S.
What is the molecular weight of O-benzyl-L-tyrosine toluene-p-sulphonate?
The molecular weight of O-benzyl-L-tyrosine toluene-p-sulphonate is 443.14 g/mol.
Where can I buy O-benzyl-L-tyrosine toluene-p-sulphonate?
You can request a quote for O-benzyl-L-tyrosine toluene-p-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-benzyl-L-tyrosine toluene-p-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for O-benzyl-L-tyrosine toluene-p-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.