AN-512/12672019
TL;DR: AN-512/12672019 (CAS 406468-54-0) is a chemical compound with molecular formula C28H24Cl2N2O2 and molecular weight 490.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-methoxyphenyl)methanone
Also Known As: AN-512/12672019, 7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-2-(4-methoxybenzoyl)-3,3a,4,5,6,7-hexahydro-2H-indazole, [(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-methoxyphenyl)methanone, [(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methoxyphenyl)methanone
| Molecular Formula | C28H24Cl2N2O2 |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 7.4388 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.1215 |
| Heavy Atoms | 34 |
| Complexity | 1249.0735 |
Chemical Identifiers
| CAS Number | 406468-54-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2C(C3CCC/C(=C\C4=CC=C(C=C4)Cl)/C3=N2)C5=CC=C(C=C5)Cl |
Product Overview
AN-512/12672019 (CAS 406468-54-0), with molecular formula C28H24Cl2N2O2 and molecular weight 490.12 g/mol. IUPAC: [(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of AN-512/12672019
Property Insights of AN-512/12672019
The XLogP value of 7.4388 indicates that AN-512/12672019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, AN-512/12672019 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-512/12672019 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-512/12672019?
The CAS number of AN-512/12672019 is 406468-54-0.
What is the molecular formula of AN-512/12672019?
The molecular formula of AN-512/12672019 is C28H24Cl2N2O2.
What is the molecular weight of AN-512/12672019?
The molecular weight of AN-512/12672019 is 490.12 g/mol.
Where can I buy AN-512/12672019?
You can request a quote for AN-512/12672019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12672019?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12672019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.