Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)
TL;DR: Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) (CAS 37178-28-2) is a chemical compound with molecular formula C16H18ClNO4 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride
Also Known As: L-Dopa benzyl ester hydrochloride, 3,4-Dihydroxy-L-phenylalanine benzyl ester hydrochloride, Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1), ALANINE, 3-(3,4-DIHYDROXYPHENYL)-, BENZYL ESTER, HYDROCHLORIDE, L-, L-Tyrosine, 3-hydroxy-, phenylmethyl ester, hydrochloride
| Molecular Formula | C16H18ClNO4 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.09244 |
| Heavy Atoms | 22 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 37178-28-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC2=CC(=C(C=C2)O)O)[NH3+].[Cl-] |
| InChIKey | SJFUQIANPBDPDH-UHFFFAOYSA-N |
Product Overview
Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) (CAS 37178-28-2), with molecular formula C16H18ClNO4 and molecular weight 323.09 g/mol. IUPAC: [3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride.
Chemical Property Profile of Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)
Property Insights of Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)
The XLogP value of -2.0 indicates that Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) has 3 hydrogen bond donor(s) and 5 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 3-hydroxytyrosinate--hydrogen chloride (1/1)?
The CAS number of Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) is 37178-28-2.
What is the molecular formula of Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)?
The molecular formula of Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) is C16H18ClNO4.
What is the molecular weight of Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)?
The molecular weight of Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) is 323.09 g/mol.
Where can I buy Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)?
You can request a quote for Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.