CBKinase1_007894
TL;DR: CBKinase1_007894 (CAS 484657-13-8) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: CBKinase1_007894, CBKinase1_020294, BAS 03432547, UPCMLD0ENAT5891481:001, AB01251411-02
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 4.3181 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 1082.4637 |
Chemical Identifiers
| CAS Number | 484657-13-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC5=C(C=C4)OCCO5 |
Product Overview
CBKinase1_007894 (CAS 484657-13-8), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007894
Property Insights of CBKinase1_007894
The XLogP value of 4.3181 indicates that CBKinase1_007894 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007894. Following Lipinski's Rule of Five, CBKinase1_007894 has 1 hydrogen bond donor(s) and 7 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_007894?
The CAS number of CBKinase1_007894 is 484657-13-8.
What is the molecular formula of CBKinase1_007894?
The molecular formula of CBKinase1_007894 is C21H21N3O3S2.
What is the molecular weight of CBKinase1_007894?
The molecular weight of CBKinase1_007894 is 427.10 g/mol.
Where can I buy CBKinase1_007894?
You can request a quote for CBKinase1_007894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007894?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.