CBKinase1_005677
TL;DR: CBKinase1_005677 (CAS 690642-52-5) is a chemical compound with molecular formula C16H17N3S3 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene
Also Known As: CBKinase1_005677, CBKinase1_018077, BRD-K88495661-001-01-0, F3394-0614, 3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),3,5-tetraene
| Molecular Formula | C16H17N3S3 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 5.01742 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.05847 |
| Heavy Atoms | 22 |
| Complexity | 806.1787 |
Chemical Identifiers
| CAS Number | 690642-52-5 |
|---|---|
| SMILES | CC1=NC(=CS1)CSC2=NC=NC3=C2C4=C(S3)CCCCC4 |
Product Overview
CBKinase1_005677 (CAS 690642-52-5), with molecular formula C16H17N3S3 and molecular weight 347.06 g/mol. IUPAC: 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of CBKinase1_005677
Property Insights of CBKinase1_005677
The XLogP value of 5.01742 indicates that CBKinase1_005677 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, CBKinase1_005677 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005677 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_005677?
The CAS number of CBKinase1_005677 is 690642-52-5.
What is the molecular formula of CBKinase1_005677?
The molecular formula of CBKinase1_005677 is C16H17N3S3.
What is the molecular weight of CBKinase1_005677?
The molecular weight of CBKinase1_005677 is 347.06 g/mol.
Where can I buy CBKinase1_005677?
You can request a quote for CBKinase1_005677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005677?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.