CBKinase1_005019
TL;DR: CBKinase1_005019 (CAS 727688-87-1) is a chemical compound with molecular formula C17H12Cl2N2OS2 and molecular weight 393.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: CBKinase1_005019, CBKinase1_017419, F3394-0604, 1-(3,4-dichlorophenyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethan-1-one, 1-(3,4-dichlorophenyl)-2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone
| Molecular Formula | C17H12Cl2N2OS2 |
|---|---|
| Molecular Weight | 393.98 g/mol |
| LogP | 5.4618 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.9768 |
| Heavy Atoms | 24 |
| Complexity | 955.1587 |
Chemical Identifiers
| CAS Number | 727688-87-1 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
CBKinase1_005019 (CAS 727688-87-1), with molecular formula C17H12Cl2N2OS2 and molecular weight 393.98 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of CBKinase1_005019
Property Insights of CBKinase1_005019
The XLogP value of 5.4618 indicates that CBKinase1_005019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, CBKinase1_005019 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005019 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_005019?
The CAS number of CBKinase1_005019 is 727688-87-1.
What is the molecular formula of CBKinase1_005019?
The molecular formula of CBKinase1_005019 is C17H12Cl2N2OS2.
What is the molecular weight of CBKinase1_005019?
The molecular weight of CBKinase1_005019 is 393.98 g/mol.
Where can I buy CBKinase1_005019?
You can request a quote for CBKinase1_005019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005019?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.