CBKinase1_000774
TL;DR: CBKinase1_000774 (CAS 328556-83-8) is a chemical compound with molecular formula C26H24N6O3S2 and molecular weight 532.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: CBKinase1_000774, CBKinase1_013174, BAS 00668840, BRD-K63818263-001-01-4, 3-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C26H24N6O3S2 |
|---|---|
| Molecular Weight | 532.14 g/mol |
| LogP | 5.49569 |
| Topological Polar Surface Area | 92.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.13513 |
| Heavy Atoms | 37 |
| Complexity | 1561.7449 |
Chemical Identifiers
| CAS Number | 328556-83-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC |
Product Overview
CBKinase1_000774 (CAS 328556-83-8), with molecular formula C26H24N6O3S2 and molecular weight 532.14 g/mol. IUPAC: 3-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of CBKinase1_000774
Property Insights of CBKinase1_000774
The XLogP value of 5.49569 indicates that CBKinase1_000774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000774. Following Lipinski's Rule of Five, CBKinase1_000774 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_000774?
The CAS number of CBKinase1_000774 is 328556-83-8.
What is the molecular formula of CBKinase1_000774?
The molecular formula of CBKinase1_000774 is C26H24N6O3S2.
What is the molecular weight of CBKinase1_000774?
The molecular weight of CBKinase1_000774 is 532.14 g/mol.
Where can I buy CBKinase1_000774?
You can request a quote for CBKinase1_000774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000774?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.