CBKinase1_007809
TL;DR: CBKinase1_007809 (CAS 487023-98-3) is a chemical compound with molecular formula C15H18N2O2S2 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Also Known As: CBKinase1_007809, CBKinase1_020209, BRD-K21034628-001-01-9, methyl 2-((2-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetate, methyl [(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
| Molecular Formula | C15H18N2O2S2 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 3.3976 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.08096 |
| Heavy Atoms | 21 |
| Complexity | 681.8537 |
Chemical Identifiers
| CAS Number | 487023-98-3 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)OC |
Product Overview
CBKinase1_007809 (CAS 487023-98-3), with molecular formula C15H18N2O2S2 and molecular weight 322.08 g/mol. IUPAC: methyl 2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate.
Chemical Property Profile of CBKinase1_007809
Property Insights of CBKinase1_007809
The XLogP value of 3.3976 indicates that CBKinase1_007809 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, CBKinase1_007809 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_007809 has 0 hydrogen bond donor(s) and 6 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_007809?
The CAS number of CBKinase1_007809 is 487023-98-3.
What is the molecular formula of CBKinase1_007809?
The molecular formula of CBKinase1_007809 is C15H18N2O2S2.
What is the molecular weight of CBKinase1_007809?
The molecular weight of CBKinase1_007809 is 322.08 g/mol.
Where can I buy CBKinase1_007809?
You can request a quote for CBKinase1_007809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007809?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.