3-羧基-O-乙基酪氨酸盐酸盐(1:1)
TL;DR: 3-羧基-O-乙基酪氨酸盐酸盐(1:1) (CAS 16220-80-7) is a chemical compound with molecular formula C12H16ClNO5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羧基-O-乙基酪氨酸盐酸盐(1:1)
5-(2-amino-2-carboxyethyl)-2-ethoxybenzoic acid;hydrochloride
Also Known As: 3-Carboxy-O-ethyltyrosine--hydrogen chloride (1/1), DL-alpha-Amino-3-carboxy-4-ethoxyhydrocinnamic acid hydrochloride, 5-(2-amino-3-hydroxy-3-oxopropyl)-2-ethoxybenzoic acid hydrochloride, Hydrocinnamic acid, alpha-amino-3-carboxy-4-ethoxy-, hydrochloride, DL-, 5-(2-amino-2-carboxyethyl)-2-ethoxybenzoic acid,hydrochloride
| Molecular Formula | C12H16ClNO5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 1.16 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.0717 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 16220-80-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)O.Cl |
| InChIKey | IAUWSJUHASZAQT-UHFFFAOYSA-N |
Product Overview
3-羧基-O-乙基酪氨酸盐酸盐(1:1) (CAS 16220-80-7), with molecular formula C12H16ClNO5 and molecular weight 289.07 g/mol. IUPAC: 5-(2-amino-2-carboxyethyl)-2-ethoxybenzoic acid;hydrochloride.
Chemical Property Profile of 3-羧基-O-乙基酪氨酸盐酸盐(1:1)
Property Insights of 3-羧基-O-乙基酪氨酸盐酸盐(1:1)
The XLogP value of 1.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羧基-O-乙基酪氨酸盐酸盐(1:1). The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-羧基-O-乙基酪氨酸盐酸盐(1:1). Following Lipinski's Rule of Five, 3-羧基-O-乙基酪氨酸盐酸盐(1:1) has 4 hydrogen bond donor(s) and 6 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 3-羧基-O-乙基酪氨酸盐酸盐(1:1)?
The CAS number of 3-羧基-O-乙基酪氨酸盐酸盐(1:1) is 16220-80-7.
What is the molecular formula of 3-羧基-O-乙基酪氨酸盐酸盐(1:1)?
The molecular formula of 3-羧基-O-乙基酪氨酸盐酸盐(1:1) is C12H16ClNO5.
What is the molecular weight of 3-羧基-O-乙基酪氨酸盐酸盐(1:1)?
The molecular weight of 3-羧基-O-乙基酪氨酸盐酸盐(1:1) is 289.07 g/mol.
Where can I buy 3-羧基-O-乙基酪氨酸盐酸盐(1:1)?
You can request a quote for 3-羧基-O-乙基酪氨酸盐酸盐(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羧基-O-乙基酪氨酸盐酸盐(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-羧基-O-乙基酪氨酸盐酸盐(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.