CBKinase1_008758
TL;DR: CBKinase1_008758 (CAS 676458-70-1) is a chemical compound with molecular formula C18H13Cl2N3O2S and molecular weight 405.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole
Also Known As: CBKinase1_008758, CBKinase1_021158, BRD-K95405227-001-01-7, 3-[(2,4-dichlorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-((2,4-dichlorobenzyl)thio)-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
| Molecular Formula | C18H13Cl2N3O2S |
|---|---|
| Molecular Weight | 405.01 g/mol |
| LogP | 5.7785 |
| Topological Polar Surface Area | 56.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.01056 |
| Heavy Atoms | 26 |
| Complexity | 997.81213 |
Chemical Identifiers
| CAS Number | 676458-70-1 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CO4 |
Product Overview
CBKinase1_008758 (CAS 676458-70-1), with molecular formula C18H13Cl2N3O2S and molecular weight 405.01 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of CBKinase1_008758
Property Insights of CBKinase1_008758
The XLogP value of 5.7785 indicates that CBKinase1_008758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.99 Ų, CBKinase1_008758 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008758 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 CBKinase1_008758?
The CAS number of CBKinase1_008758 is 676458-70-1.
What is the molecular formula of CBKinase1_008758?
The molecular formula of CBKinase1_008758 is C18H13Cl2N3O2S.
What is the molecular weight of CBKinase1_008758?
The molecular weight of CBKinase1_008758 is 405.01 g/mol.
Where can I buy CBKinase1_008758?
You can request a quote for CBKinase1_008758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008758?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.