CBKinase1_004436
TL;DR: CBKinase1_004436 (CAS 694477-31-1) is a chemical compound with molecular formula C21H21N3OS3 and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
Also Known As: CBKinase1_004436, CBKinase1_016836, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide, BRD-A12509532-001-01-8, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(6-methylbenzothiazol-2-yl)phenyl]butanamide
| Molecular Formula | C21H21N3OS3 |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 5.82482 |
| Topological Polar Surface Area | 54.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.0847 |
| Heavy Atoms | 28 |
| Complexity | 1027.0568 |
Chemical Identifiers
| CAS Number | 694477-31-1 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)SC4=NCCS4 |
Product Overview
CBKinase1_004436 (CAS 694477-31-1), with molecular formula C21H21N3OS3 and molecular weight 427.08 g/mol. IUPAC: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide.
Chemical Property Profile of CBKinase1_004436
Property Insights of CBKinase1_004436
The XLogP value of 5.82482 indicates that CBKinase1_004436 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.35 Ų, CBKinase1_004436 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004436 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004436?
The CAS number of CBKinase1_004436 is 694477-31-1.
What is the molecular formula of CBKinase1_004436?
The molecular formula of CBKinase1_004436 is C21H21N3OS3.
What is the molecular weight of CBKinase1_004436?
The molecular weight of CBKinase1_004436 is 427.08 g/mol.
Where can I buy CBKinase1_004436?
You can request a quote for CBKinase1_004436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004436?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.