吲哚酚磷酸酯
TL;DR: 吲哚酚磷酸酯 (CAS 13822-19-0) is a chemical compound with molecular formula C8H8NO4P and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚酚磷酸酯
1H-indol-3-yl dihydrogen phosphate
Also Known As: Indoxylphosphate, INDOXYL PHOSPHATE, 1H-indol-3-yl dihydrogen phosphate, 1H-indol-3-yl phosphate, 3-INDOXYL PHOSPHATE
| Molecular Formula | C8H8NO4P |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.01909 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 13822-19-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)OP(=O)(O)O |
| InChIKey | JTNGEYANGCBZLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚酚磷酸酯 (CAS 13822-19-0), with molecular formula C8H8NO4P and molecular weight 213.02 g/mol. IUPAC: 1H-indol-3-yl dihydrogen phosphate.
Chemical Property Profile of 吲哚酚磷酸酯
Property Insights of 吲哚酚磷酸酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚酚磷酸酯. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 吲哚酚磷酸酯. Following Lipinski's Rule of Five, 吲哚酚磷酸酯 has 3 hydrogen bond donor(s) and 4 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 吲哚酚磷酸酯?
The CAS number of 吲哚酚磷酸酯 is 13822-19-0.
What is the molecular formula of 吲哚酚磷酸酯?
The molecular formula of 吲哚酚磷酸酯 is C8H8NO4P.
What is the molecular weight of 吲哚酚磷酸酯?
The molecular weight of 吲哚酚磷酸酯 is 213.02 g/mol.
Where can I buy 吲哚酚磷酸酯?
You can request a quote for 吲哚酚磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚酚磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 吲哚酚磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.