阿伐斯汀
TL;DR: 阿伐斯汀 (CAS 87848-99-5) is a chemical compound with molecular formula C22H24N2O2 and molecular weight 348.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿伐斯汀
3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enoic acid
Also Known As: ACRIVASTINE, Acrivastine D7, BW825C, 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid, 3-{6-[1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acid
| Molecular Formula | C22H24N2O2 |
|---|---|
| Molecular Weight | 348.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.18378 |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 87848-99-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC(=N3)C=CC(=O)O |
| InChIKey | PWACSDKDOHSSQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿伐斯汀 (CAS 87848-99-5), with molecular formula C22H24N2O2 and molecular weight 348.18 g/mol. IUPAC: 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enoic acid.
Chemical Property Profile of 阿伐斯汀
Property Insights of 阿伐斯汀
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿伐斯汀. With a topological polar surface area (TPSA) of 53.4 Ų, 阿伐斯汀 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿伐斯汀 has 1 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 阿伐斯汀?
The CAS number of 阿伐斯汀 is 87848-99-5.
What is the molecular formula of 阿伐斯汀?
The molecular formula of 阿伐斯汀 is C22H24N2O2.
What is the molecular weight of 阿伐斯汀?
The molecular weight of 阿伐斯汀 is 348.18 g/mol.
Where can I buy 阿伐斯汀?
You can request a quote for 阿伐斯汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿伐斯汀?
Yes, KEHONG BIO provides custom synthesis services for 阿伐斯汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.