CBKinase1_002570
TL;DR: CBKinase1_002570 (CAS 496777-08-3) is a chemical compound with molecular formula C15H19N3O5S and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: CBKinase1_002570, CBKinase1_014970, AF-399/41767578, BRD-K09222019-001-01-3, methyl {[4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C15H19N3O5S |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 1.773 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.10455 |
| Heavy Atoms | 24 |
| Complexity | 706.8899 |
Chemical Identifiers
| CAS Number | 496777-08-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
CBKinase1_002570 (CAS 496777-08-3), with molecular formula C15H19N3O5S and molecular weight 353.10 g/mol. IUPAC: methyl 2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of CBKinase1_002570
Property Insights of CBKinase1_002570
The XLogP value of 1.773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002570. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002570. Following Lipinski's Rule of Five, CBKinase1_002570 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002570?
The CAS number of CBKinase1_002570 is 496777-08-3.
What is the molecular formula of CBKinase1_002570?
The molecular formula of CBKinase1_002570 is C15H19N3O5S.
What is the molecular weight of CBKinase1_002570?
The molecular weight of CBKinase1_002570 is 353.10 g/mol.
Where can I buy CBKinase1_002570?
You can request a quote for CBKinase1_002570 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002570?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002570 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.