AN-512/12672035
TL;DR: AN-512/12672035 (CAS 5817-45-8) is a chemical compound with molecular formula C28H24Br2N2O2 and molecular weight 578.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-methoxyphenyl)methanone
Also Known As: AN-512/12672035, [3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-methoxyphenyl)methanone, {3-(4-Bromophenyl)-7-[(4-bromophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}(4-methoxyphenyl)methanone
| Molecular Formula | C28H24Br2N2O2 |
|---|---|
| Molecular Weight | 578.02 g/mol |
| LogP | 7.657 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 578.02045 |
| Heavy Atoms | 34 |
| Complexity | 1249.0735 |
Chemical Identifiers
| CAS Number | 5817-45-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)Br)C3=N2)C5=CC=C(C=C5)Br |
Product Overview
AN-512/12672035 (CAS 5817-45-8), with molecular formula C28H24Br2N2O2 and molecular weight 578.02 g/mol. IUPAC: [3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of AN-512/12672035
Property Insights of AN-512/12672035
The XLogP value of 7.657 indicates that AN-512/12672035 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-512/12672035 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-512/12672035 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-512/12672035?
The CAS number of AN-512/12672035 is 5817-45-8.
What is the molecular formula of AN-512/12672035?
The molecular formula of AN-512/12672035 is C28H24Br2N2O2.
What is the molecular weight of AN-512/12672035?
The molecular weight of AN-512/12672035 is 578.02 g/mol.
Where can I buy AN-512/12672035?
You can request a quote for AN-512/12672035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12672035?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12672035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.