α-5-吡哆醛甲基氯化物
TL;DR: α-5-吡哆醛甲基氯化物 (CAS 5408-57-1) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-5-吡哆醛甲基氯化物
5-(2-chloroethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
Also Known As: alpha-5-Pyridoxal methyl chloride, 5-(2-Chloroethyl)-3-hydroxy-2-methyl-4-pyridinecarboxaldehyde, 5-(2-chloroethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde, alpha-5-pyridoxal methyl chloride hydrochloride, 1-methyl-1,2,4-triazole-3,5-diamine,hydrochloride
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 5408-57-1 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=O)CCCl |
| InChIKey | YIXVBGCBVIGDFI-UHFFFAOYSA-N |
Product Overview
α-5-吡哆醛甲基氯化物 (CAS 5408-57-1), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: 5-(2-chloroethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde.
Chemical Property Profile of α-5-吡哆醛甲基氯化物
Property Insights of α-5-吡哆醛甲基氯化物
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-5-吡哆醛甲基氯化物. With a topological polar surface area (TPSA) of 50.2 Ų, α-5-吡哆醛甲基氯化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-5-吡哆醛甲基氯化物 has 1 hydrogen bond donor(s) and 3 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 α-5-吡哆醛甲基氯化物?
The CAS number of α-5-吡哆醛甲基氯化物 is 5408-57-1.
What is the molecular formula of α-5-吡哆醛甲基氯化物?
The molecular formula of α-5-吡哆醛甲基氯化物 is C9H10ClNO2.
What is the molecular weight of α-5-吡哆醛甲基氯化物?
The molecular weight of α-5-吡哆醛甲基氯化物 is 199.04 g/mol.
Where can I buy α-5-吡哆醛甲基氯化物?
You can request a quote for α-5-吡哆醛甲基氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-5-吡哆醛甲基氯化物?
Yes, KEHONG BIO provides custom synthesis services for α-5-吡哆醛甲基氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.