丁咯地尔吡哆醛磷酸酯
TL;DR: 丁咯地尔吡哆醛磷酸酯 (CAS 104018-19-1) is a chemical compound with molecular formula C25H35N2O10P and molecular weight 554.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁咯地尔吡哆醛磷酸酯
(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate;4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
Also Known As: buflomedil pyridoxal phosphate, KST-1A0613, (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one, 018B077, 2,4,6-trimethoxyphenyl-3-pyrrolidine propyl ketone
| Molecular Formula | C25H35N2O10P |
|---|---|
| Molecular Weight | 554.20 g/mol |
| LogP | 3.28852 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 554.20294 |
| Heavy Atoms | 38 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 104018-19-1 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC |
| InChIKey | PFDMMTLRXJOJAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁咯地尔吡哆醛磷酸酯 (CAS 104018-19-1), with molecular formula C25H35N2O10P and molecular weight 554.20 g/mol. IUPAC: (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate;4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one.
Chemical Property Profile of 丁咯地尔吡哆醛磷酸酯
Property Insights of 丁咯地尔吡哆醛磷酸酯
The XLogP value of 3.28852 indicates that 丁咯地尔吡哆醛磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting 丁咯地尔吡哆醛磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 丁咯地尔吡哆醛磷酸酯 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 丁咯地尔吡哆醛磷酸酯?
The CAS number of 丁咯地尔吡哆醛磷酸酯 is 104018-19-1.
What is the molecular formula of 丁咯地尔吡哆醛磷酸酯?
The molecular formula of 丁咯地尔吡哆醛磷酸酯 is C25H35N2O10P.
What is the molecular weight of 丁咯地尔吡哆醛磷酸酯?
The molecular weight of 丁咯地尔吡哆醛磷酸酯 is 554.20 g/mol.
Where can I buy 丁咯地尔吡哆醛磷酸酯?
You can request a quote for 丁咯地尔吡哆醛磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁咯地尔吡哆醛磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁咯地尔吡哆醛磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.