氨基莽草酸
TL;DR: 氨基莽草酸 (CAS 178948-66-8) is a chemical compound with molecular formula C7H11NO4 and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨基莽草酸
(3R,4S,5R)-5-amino-3,4-dihydroxycyclohexene-1-carboxylic acid
Also Known As: Aminoshikimic acid, Aminoshikimate, 5-Deoxy-5-aminoshikimic acid, J2.054.722G, 1-Cyclohexene-1-carboxylic acid, 5-amino-3,4-dihydroxy-, (3R,4S,5R)-
| Molecular Formula | C7H11NO4 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.0688 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 178948-66-8 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)N |
| InChIKey | GSAKPGCLECHWSP-PBXRRBTRSA-N |
Product Overview
氨基莽草酸 (CAS 178948-66-8), with molecular formula C7H11NO4 and molecular weight 173.07 g/mol. IUPAC: (3R,4S,5R)-5-amino-3,4-dihydroxycyclohexene-1-carboxylic acid.
Chemical Property Profile of 氨基莽草酸
Property Insights of 氨基莽草酸
The XLogP value of -4.3 indicates that 氨基莽草酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氨基莽草酸. Following Lipinski's Rule of Five, 氨基莽草酸 has 4 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 氨基莽草酸?
The CAS number of 氨基莽草酸 is 178948-66-8.
What is the molecular formula of 氨基莽草酸?
The molecular formula of 氨基莽草酸 is C7H11NO4.
What is the molecular weight of 氨基莽草酸?
The molecular weight of 氨基莽草酸 is 173.07 g/mol.
Where can I buy 氨基莽草酸?
You can request a quote for 氨基莽草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨基莽草酸?
Yes, KEHONG BIO provides custom synthesis services for 氨基莽草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.