AN-329/13210941
TL;DR: AN-329/13210941 (CAS 314281-80-6) is a chemical compound with molecular formula C26H18BrN3O2S and molecular weight 515.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)methylidene]-5-phenylpyrazol-3-one
Also Known As: AN-329/13210941, (4Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(4-methoxybenzylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(4-methoxybenzylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)methylidene]-5-phenylpyrazol-3-one, (4Z)-1-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]-4-[(4-METHOXYPHENYL)METHYLIDENE]-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
| Molecular Formula | C26H18BrN3O2S |
|---|---|
| Molecular Weight | 515.03 g/mol |
| LogP | 6.4157 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.03033 |
| Heavy Atoms | 33 |
| Complexity | 1360.9395 |
Chemical Identifiers
| CAS Number | 314281-80-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
AN-329/13210941 (CAS 314281-80-6), with molecular formula C26H18BrN3O2S and molecular weight 515.03 g/mol. IUPAC: (4Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)methylidene]-5-phenylpyrazol-3-one.
Chemical Property Profile of AN-329/13210941
Property Insights of AN-329/13210941
The XLogP value of 6.4157 indicates that AN-329/13210941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, AN-329/13210941 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-329/13210941 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/13210941?
The CAS number of AN-329/13210941 is 314281-80-6.
What is the molecular formula of AN-329/13210941?
The molecular formula of AN-329/13210941 is C26H18BrN3O2S.
What is the molecular weight of AN-329/13210941?
The molecular weight of AN-329/13210941 is 515.03 g/mol.
Where can I buy AN-329/13210941?
You can request a quote for AN-329/13210941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/13210941?
Yes, KEHONG BIO provides custom synthesis services for AN-329/13210941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.