阿替韦啶
TL;DR: 阿替韦啶 (CAS 136816-75-6) is a chemical compound with molecular formula C21H25N5O2 and molecular weight 379.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿替韦啶
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Also Known As: Atevirdine, Atevirdina, atevirdinum, Atevirdine mesylate, Atevirdine [INN]
| Molecular Formula | C21H25N5O2 |
|---|---|
| Molecular Weight | 379.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.20084 |
| Heavy Atoms | 28 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 136816-75-6 |
|---|---|
| SMILES | CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC |
| InChIKey | UCPOMLWZWRTIAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿替韦啶 (CAS 136816-75-6), with molecular formula C21H25N5O2 and molecular weight 379.20 g/mol. IUPAC: [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
Chemical Property Profile of 阿替韦啶
Property Insights of 阿替韦啶
The XLogP value of 3.0 indicates that 阿替韦啶 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿替韦啶. Following Lipinski's Rule of Five, 阿替韦啶 has 2 hydrogen bond donor(s) and 5 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 阿替韦啶?
The CAS number of 阿替韦啶 is 136816-75-6.
What is the molecular formula of 阿替韦啶?
The molecular formula of 阿替韦啶 is C21H25N5O2.
What is the molecular weight of 阿替韦啶?
The molecular weight of 阿替韦啶 is 379.20 g/mol.
Where can I buy 阿替韦啶?
You can request a quote for 阿替韦啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿替韦啶?
Yes, KEHONG BIO provides custom synthesis services for 阿替韦啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.