阿塞那平
TL;DR: 阿塞那平 (CAS 65576-45-6) is a chemical compound with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿塞那平
(Z)-but-2-enedioic acid;(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
Also Known As: Asenapine maleate, Saphris, Asenapine, Sycrest, asenapinemaleate
| Molecular Formula | C21H20ClNO5 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.9703 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.103 |
| Heavy Atoms | 28 |
| Complexity | 910.762 |
Chemical Identifiers
| CAS Number | 65576-45-6 |
|---|---|
| SMILES | CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
阿塞那平 (CAS 65576-45-6), with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol. IUPAC: (Z)-but-2-enedioic acid;(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene.
Chemical Property Profile of 阿塞那平
Property Insights of 阿塞那平
The XLogP value of 3.9703 indicates that 阿塞那平 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿塞那平. Following Lipinski's Rule of Five, 阿塞那平 has 2 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 阿塞那平?
The CAS number of 阿塞那平 is 65576-45-6.
What is the molecular formula of 阿塞那平?
The molecular formula of 阿塞那平 is C21H20ClNO5.
What is the molecular weight of 阿塞那平?
The molecular weight of 阿塞那平 is 401.10 g/mol.
Where can I buy 阿塞那平?
You can request a quote for 阿塞那平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿塞那平?
Yes, KEHONG BIO provides custom synthesis services for 阿塞那平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.