CBKinase1_000450
TL;DR: CBKinase1_000450 (CAS 304893-72-9) is a chemical compound with molecular formula C22H16Cl2N2O4S and molecular weight 474.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: CBKinase1_000450, CBKinase1_012850, BAS 00537177, BRD-A82671837-001-01-3, 2-[3-(3,6-Dichloro-carbazol-9-yl)-2-hydroxy-propyl]-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
| Molecular Formula | C22H16Cl2N2O4S |
|---|---|
| Molecular Weight | 474.02 g/mol |
| LogP | 4.3069 |
| Topological Polar Surface Area | 79.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.02078 |
| Heavy Atoms | 31 |
| Complexity | 1420.6837 |
Chemical Identifiers
| CAS Number | 304893-72-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(CN3C4=C(C=C(C=C4)Cl)C5=C3C=CC(=C5)Cl)O |
Product Overview
CBKinase1_000450 (CAS 304893-72-9), with molecular formula C22H16Cl2N2O4S and molecular weight 474.02 g/mol. IUPAC: 2-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of CBKinase1_000450
Property Insights of CBKinase1_000450
The XLogP value of 4.3069 indicates that CBKinase1_000450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.61 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000450. Following Lipinski's Rule of Five, CBKinase1_000450 has 1 hydrogen bond donor(s) and 4 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_000450?
The CAS number of CBKinase1_000450 is 304893-72-9.
What is the molecular formula of CBKinase1_000450?
The molecular formula of CBKinase1_000450 is C22H16Cl2N2O4S.
What is the molecular weight of CBKinase1_000450?
The molecular weight of CBKinase1_000450 is 474.02 g/mol.
Where can I buy CBKinase1_000450?
You can request a quote for CBKinase1_000450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000450?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.