莽草酸-3-磷酸
TL;DR: 莽草酸-3-磷酸 (CAS 63959-45-5) is a chemical compound with molecular formula C7H11O8P and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莽草酸-3-磷酸
4,5-dihydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
Also Known As: shikimate-3-phosphate, shikimic acid-3-phosphate, 3-phosphoshikimic acid, 3,3-bis(difluoroamino)butan-1-ol, Shikimate-3-phosphate trisodium salt
| Molecular Formula | C7H11O8P |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.01915 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 63959-45-5 |
|---|---|
| SMILES | C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O |
| InChIKey | QYOJSKGCWNAKGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
莽草酸-3-磷酸 (CAS 63959-45-5), with molecular formula C7H11O8P and molecular weight 254.02 g/mol. IUPAC: 4,5-dihydroxy-3-phosphonooxycyclohexene-1-carboxylic acid.
Chemical Property Profile of 莽草酸-3-磷酸
Property Insights of 莽草酸-3-磷酸
The XLogP value of -2.8 indicates that 莽草酸-3-磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 莽草酸-3-磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 莽草酸-3-磷酸 has 5 hydrogen bond donor(s) and 8 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 莽草酸-3-磷酸?
The CAS number of 莽草酸-3-磷酸 is 63959-45-5.
What is the molecular formula of 莽草酸-3-磷酸?
The molecular formula of 莽草酸-3-磷酸 is C7H11O8P.
What is the molecular weight of 莽草酸-3-磷酸?
The molecular weight of 莽草酸-3-磷酸 is 254.02 g/mol.
Where can I buy 莽草酸-3-磷酸?
You can request a quote for 莽草酸-3-磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莽草酸-3-磷酸?
Yes, KEHONG BIO provides custom synthesis services for 莽草酸-3-磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.