n-Benzoyl-3-methoxy-o-methyltyrosine
TL;DR: n-Benzoyl-3-methoxy-o-methyltyrosine (CAS 38985-72-7) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-(3,4-dimethoxyphenyl)propanoic acid
Also Known As: n-benzoyl-3-methoxy-o-methyltyrosine, N-Benzoyl-3,4-dimethoxyphenylalanine, 2-benzamido-3-(3,4-dimethoxyphenyl)propanoic acid, J1.390.623H, 2-(Benzoylamino)-3-(3,4-dimethoxyphenyl)propionic acid
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 38985-72-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2)OC |
| InChIKey | UFEIDPFGICDUHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Benzoyl-3-methoxy-o-methyltyrosine (CAS 38985-72-7), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: 2-benzamido-3-(3,4-dimethoxyphenyl)propanoic acid.
Chemical Property Profile of n-Benzoyl-3-methoxy-o-methyltyrosine
Property Insights of n-Benzoyl-3-methoxy-o-methyltyrosine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Benzoyl-3-methoxy-o-methyltyrosine. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Benzoyl-3-methoxy-o-methyltyrosine. Following Lipinski's Rule of Five, n-Benzoyl-3-methoxy-o-methyltyrosine has 2 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 n-Benzoyl-3-methoxy-o-methyltyrosine?
The CAS number of n-Benzoyl-3-methoxy-o-methyltyrosine is 38985-72-7.
What is the molecular formula of n-Benzoyl-3-methoxy-o-methyltyrosine?
The molecular formula of n-Benzoyl-3-methoxy-o-methyltyrosine is C18H19NO5.
What is the molecular weight of n-Benzoyl-3-methoxy-o-methyltyrosine?
The molecular weight of n-Benzoyl-3-methoxy-o-methyltyrosine is 329.13 g/mol.
Where can I buy n-Benzoyl-3-methoxy-o-methyltyrosine?
You can request a quote for n-Benzoyl-3-methoxy-o-methyltyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Benzoyl-3-methoxy-o-methyltyrosine?
Yes, KEHONG BIO provides custom synthesis services for n-Benzoyl-3-methoxy-o-methyltyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.