CBKinase1_009528
TL;DR: CBKinase1_009528 (CAS 587012-49-5) is a chemical compound with molecular formula C23H23N3O2S2 and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-N-(furan-2-ylmethyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: CBKinase1_009528, CBKinase1_021928, BRD-K07775958-001-01-5, 2-(benzylsulfanyl)-N-(furan-2-ylmethyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 2-(benzylthio)-N-(furan-2-ylmethyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C23H23N3O2S2 |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 6.04 |
| Topological Polar Surface Area | 60.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.12317 |
| Heavy Atoms | 30 |
| Complexity | 1154.3864 |
Chemical Identifiers
| CAS Number | 587012-49-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=NC(=C23)NCC4=CC=CO4)SCC5=CC=CC=C5)C |
Product Overview
CBKinase1_009528 (CAS 587012-49-5), with molecular formula C23H23N3O2S2 and molecular weight 437.12 g/mol. IUPAC: 5-benzylsulfanyl-N-(furan-2-ylmethyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of CBKinase1_009528
Property Insights of CBKinase1_009528
The XLogP value of 6.04 indicates that CBKinase1_009528 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009528. Following Lipinski's Rule of Five, CBKinase1_009528 has 1 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_009528?
The CAS number of CBKinase1_009528 is 587012-49-5.
What is the molecular formula of CBKinase1_009528?
The molecular formula of CBKinase1_009528 is C23H23N3O2S2.
What is the molecular weight of CBKinase1_009528?
The molecular weight of CBKinase1_009528 is 437.12 g/mol.
Where can I buy CBKinase1_009528?
You can request a quote for CBKinase1_009528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009528?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.