CBKinase1_005038
TL;DR: CBKinase1_005038 (CAS 695173-30-9) is a chemical compound with molecular formula C13H13N7S2 and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
Also Known As: CBKinase1_005038, CBKinase1_017438, 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine, AJ-292/42284691, BRD-K61536313-001-01-4
| Molecular Formula | C13H13N7S2 |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 2.64962 |
| Topological Polar Surface Area | 102.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.06738 |
| Heavy Atoms | 22 |
| Complexity | 760.08997 |
Chemical Identifiers
| CAS Number | 695173-30-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N |
Product Overview
CBKinase1_005038 (CAS 695173-30-9), with molecular formula C13H13N7S2 and molecular weight 331.07 g/mol. IUPAC: 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of CBKinase1_005038
Property Insights of CBKinase1_005038
The XLogP value of 2.64962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005038. The TPSA of 102.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005038. Following Lipinski's Rule of Five, CBKinase1_005038 has 2 hydrogen bond donor(s) and 9 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_005038?
The CAS number of CBKinase1_005038 is 695173-30-9.
What is the molecular formula of CBKinase1_005038?
The molecular formula of CBKinase1_005038 is C13H13N7S2.
What is the molecular weight of CBKinase1_005038?
The molecular weight of CBKinase1_005038 is 331.07 g/mol.
Where can I buy CBKinase1_005038?
You can request a quote for CBKinase1_005038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005038?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.