吡哆醛
TL;DR: 吡哆醛 (CAS 85-87-0) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡哆醛
4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Also Known As: pyridoxamine, Pyridoxylamine, Pyridorin, pyridoxamin-, vitamin B6
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
| Solubility | 815 mg/mL |
Chemical Identifiers
| CAS Number | 85-87-0 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CN)CO |
| InChIKey | NHZMQXZHNVQTQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡哆醛 (CAS 85-87-0), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol.
Chemical Property Profile of 吡哆醛
Property Insights of 吡哆醛
The XLogP value of -1.0 indicates that 吡哆醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 吡哆醛. Following Lipinski's Rule of Five, 吡哆醛 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 吡哆醛?
The CAS number of 吡哆醛 is 85-87-0.
What is the molecular formula of 吡哆醛?
The molecular formula of 吡哆醛 is C8H12N2O2.
What is the molecular weight of 吡哆醛?
The molecular weight of 吡哆醛 is 168.09 g/mol.
Where can I buy 吡哆醛?
You can request a quote for 吡哆醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡哆醛?
Yes, KEHONG BIO provides custom synthesis services for 吡哆醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.