5G-464S
TL;DR: 5G-464S (CAS 400083-72-9) is a chemical compound with molecular formula C23H20Cl2N4O2S2 and molecular weight 518.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole
Also Known As: 5G-464S, 4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole, 4-allyl-3-[(2,6-dichlorobenzyl)sulfanyl]-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole, 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 4-(4-Allyl-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3,4-dimethoxyphenyl)thiazole
| Molecular Formula | C23H20Cl2N4O2S2 |
|---|---|
| Molecular Weight | 518.04 g/mol |
| LogP | 6.8709 |
| Topological Polar Surface Area | 62.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.04047 |
| Heavy Atoms | 33 |
| Complexity | 1269.2096 |
Chemical Identifiers
| CAS Number | 400083-72-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC(=CS2)C3=NN=C(N3CC=C)SCC4=C(C=CC=C4Cl)Cl)OC |
Product Overview
5G-464S (CAS 400083-72-9), with molecular formula C23H20Cl2N4O2S2 and molecular weight 518.04 g/mol. IUPAC: 4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole.
Chemical Property Profile of 5G-464S
Property Insights of 5G-464S
The XLogP value of 6.8709 indicates that 5G-464S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5G-464S. Following Lipinski's Rule of Five, 5G-464S has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5G-464S?
The CAS number of 5G-464S is 400083-72-9.
What is the molecular formula of 5G-464S?
The molecular formula of 5G-464S is C23H20Cl2N4O2S2.
What is the molecular weight of 5G-464S?
The molecular weight of 5G-464S is 518.04 g/mol.
Where can I buy 5G-464S?
You can request a quote for 5G-464S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5G-464S?
Yes, KEHONG BIO provides custom synthesis services for 5G-464S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.