CBKinase1_006800
TL;DR: CBKinase1_006800 (CAS 824423-74-7) is a chemical compound with molecular formula C23H21Cl2N3O3S and molecular weight 489.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dichloro-4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_006800, CBKinase1_019200, BRD-K16660002-001-01-4, 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(3,5-dichloro-4-methoxyphenyl)carbonyl]amino}-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C23H21Cl2N3O3S |
|---|---|
| Molecular Weight | 489.07 g/mol |
| LogP | 5.5196 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.06805 |
| Heavy Atoms | 32 |
| Complexity | 1141.7885 |
Chemical Identifiers
| CAS Number | 824423-74-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4)Cl |
Product Overview
CBKinase1_006800 (CAS 824423-74-7), with molecular formula C23H21Cl2N3O3S and molecular weight 489.07 g/mol. IUPAC: 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_006800
Property Insights of CBKinase1_006800
The XLogP value of 5.5196 indicates that CBKinase1_006800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006800. Following Lipinski's Rule of Five, CBKinase1_006800 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_006800?
The CAS number of CBKinase1_006800 is 824423-74-7.
What is the molecular formula of CBKinase1_006800?
The molecular formula of CBKinase1_006800 is C23H21Cl2N3O3S.
What is the molecular weight of CBKinase1_006800?
The molecular weight of CBKinase1_006800 is 489.07 g/mol.
Where can I buy CBKinase1_006800?
You can request a quote for CBKinase1_006800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006800?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.