phosphoricacid
TL;DR: phosphoricacid (CAS 100347-84-0) is a chemical compound with molecular formula C22H31N2O7P and molecular weight 466.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihydrogen phosphate;3-piperidin-1-ium-1-ylpropyl 4-amino-2-phenylmethoxybenzoate
Also Known As: phosphoricacid, 4-Amino-2-(benzyloxy)benzoic acid 3-piperidinopropyl ester hydrogen phosphate, (7Z,9Z,7'Z,9'Z,3R,3'R)-zeaxanthin, Benzoic acid, 4-amino-2-(benzyloxy)-, 3-piperidinopropyl ester, hydrogen phosphate, 1-(3-{[4-Amino-2-(benzyloxy)benzoyl]oxy}propyl)piperidin-1-ium dihydrogen phosphate
| Molecular Formula | C22H31N2O7P |
|---|---|
| Molecular Weight | 466.19 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.1869 |
| Heavy Atoms | 32 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 100347-84-0 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCCOC(=O)C2=C(C=C(C=C2)N)OCC3=CC=CC=C3.OP(=O)(O)[O-] |
| InChIKey | ZEFJKTDVBATXPM-UHFFFAOYSA-N |
Product Overview
phosphoricacid (CAS 100347-84-0), with molecular formula C22H31N2O7P and molecular weight 466.19 g/mol. IUPAC: dihydrogen phosphate;3-piperidin-1-ium-1-ylpropyl 4-amino-2-phenylmethoxybenzoate.
Chemical Property Profile of phosphoricacid
Property Insights of phosphoricacid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phosphoricacid. The TPSA of 147.0 Ų indicates high polarity, suggesting phosphoricacid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, phosphoricacid has 4 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 phosphoricacid?
The CAS number of phosphoricacid is 100347-84-0.
What is the molecular formula of phosphoricacid?
The molecular formula of phosphoricacid is C22H31N2O7P.
What is the molecular weight of phosphoricacid?
The molecular weight of phosphoricacid is 466.19 g/mol.
Where can I buy phosphoricacid?
You can request a quote for phosphoricacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phosphoricacid?
Yes, KEHONG BIO provides custom synthesis services for phosphoricacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.