5-氯吡嗪-2-甲酸甲酯
TL;DR: 5-氯吡嗪-2-甲酸甲酯 (CAS 33332-25-1) is a chemical compound with molecular formula C22H30ClNO2 and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯吡嗪-2-甲酸甲酯
2-(methoxymethyl)-1,1-diphenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
Also Known As: alpha,alpha-Diphenyl-beta-(methoxymethyl)-1-piperidinepropanol hydrochloride, 1-Piperidinepropanol, alpha,alpha-diphenyl-beta-(methoxymethyl)-, hydrochloride, 3-methoxy-1,1-diphenyl-2-(piperidin-1-ylmethyl)propan-1-ol hydrochloride(1:1), 2-(Methoxymethyl)-1,1-diphenyl-3-(piperidin-1-yl)propan-1-ol--hydrogen chloride (1/1), 1-Piperidinepropanol, b-(methoxymethyl)-a,a-diphenyl-, hydrochloride (1:1)
| Molecular Formula | C22H30ClNO2 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 4.0928 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.1965 |
| Heavy Atoms | 26 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 33332-25-1 |
|---|---|
| SMILES | COCC(CN1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl |
| InChIKey | NDXLJDLROKSRME-UHFFFAOYSA-N |
Product Overview
5-氯吡嗪-2-甲酸甲酯 (CAS 33332-25-1), with molecular formula C22H30ClNO2 and molecular weight 375.20 g/mol. IUPAC: 2-(methoxymethyl)-1,1-diphenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride.
Chemical Property Profile of 5-氯吡嗪-2-甲酸甲酯
Property Insights of 5-氯吡嗪-2-甲酸甲酯
The XLogP value of 4.0928 indicates that 5-氯吡嗪-2-甲酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 5-氯吡嗪-2-甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯吡嗪-2-甲酸甲酯 has 2 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 5-氯吡嗪-2-甲酸甲酯?
The CAS number of 5-氯吡嗪-2-甲酸甲酯 is 33332-25-1.
What is the molecular formula of 5-氯吡嗪-2-甲酸甲酯?
The molecular formula of 5-氯吡嗪-2-甲酸甲酯 is C22H30ClNO2.
What is the molecular weight of 5-氯吡嗪-2-甲酸甲酯?
The molecular weight of 5-氯吡嗪-2-甲酸甲酯 is 375.20 g/mol.
Where can I buy 5-氯吡嗪-2-甲酸甲酯?
You can request a quote for 5-氯吡嗪-2-甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯吡嗪-2-甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 5-氯吡嗪-2-甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.