4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸
TL;DR: 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 (CAS 133442-18-9) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸
4-amino-3-(1-carboxyethenoxy)cyclohexa-1,5-diene-1-carboxylic acid
Also Known As: 4-amino-3-(1-carboxyethenoxy)cyclohexa-1,5-diene-1-carboxylic acid, 4-amino-3-[(1-carboxyethenyl)oxy]cyclohexa-1,5-diene-1-carboxylic acid, (3R,4R)-4-Amino-3-((1-carboxyvinyl)oxy)cyclohexa-1,5-diene-1-carboxylic acid, (3R,4R)-4-amino-3-[(1-carboxyeth-1-en-1-yl)oxy]cyclohexa-1,5-diene-1-carboxylic acid, 4-amino-3-(3-hydroxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,5-diene-1-carboxylic acid
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 133442-18-9 |
|---|---|
| SMILES | C=C(C(=O)O)OC1C=C(C=CC1N)C(=O)O |
| InChIKey | OIUJHGOLFKDBSU-UHFFFAOYSA-N |
Product Overview
4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 (CAS 133442-18-9), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: 4-amino-3-(1-carboxyethenoxy)cyclohexa-1,5-diene-1-carboxylic acid.
Chemical Property Profile of 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸
Property Insights of 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸
The XLogP value of -2.3 indicates that 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸. Following Lipinski's Rule of Five, 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 has 3 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 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸?
The CAS number of 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 is 133442-18-9.
What is the molecular formula of 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸?
The molecular formula of 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 is C10H11NO5.
What is the molecular weight of 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸?
The molecular weight of 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 is 225.06 g/mol.
Where can I buy 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸?
You can request a quote for 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基-3-(1-羧乙烯氧基)环己-1,5-二烯-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.