CBKinase1_007832
TL;DR: CBKinase1_007832 (CAS 690647-13-3) is a chemical compound with molecular formula C28H25FN4O3S2 and molecular weight 548.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: CBKinase1_007832, CBKinase1_020232, F3394-1192, BRD-K13287714-001-01-8, 2-({2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C28H25FN4O3S2 |
|---|---|
| Molecular Weight | 548.14 g/mol |
| LogP | 5.84264 |
| Topological Polar Surface Area | 81.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.1352 |
| Heavy Atoms | 38 |
| Complexity | 1719.3578 |
Chemical Identifiers
| CAS Number | 690647-13-3 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCC(CC3)C4=NOC5=C4C=C(C=C5)F)C6=CC=CC=C6)C |
Product Overview
CBKinase1_007832 (CAS 690647-13-3), with molecular formula C28H25FN4O3S2 and molecular weight 548.14 g/mol. IUPAC: 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of CBKinase1_007832
Property Insights of CBKinase1_007832
The XLogP value of 5.84264 indicates that CBKinase1_007832 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.23 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007832. Following Lipinski's Rule of Five, CBKinase1_007832 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_007832?
The CAS number of CBKinase1_007832 is 690647-13-3.
What is the molecular formula of CBKinase1_007832?
The molecular formula of CBKinase1_007832 is C28H25FN4O3S2.
What is the molecular weight of CBKinase1_007832?
The molecular weight of CBKinase1_007832 is 548.14 g/mol.
Where can I buy CBKinase1_007832?
You can request a quote for CBKinase1_007832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007832?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.