CBKinase1_005083
TL;DR: CBKinase1_005083 (CAS 694505-01-6) is a chemical compound with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate
Also Known As: CBKinase1_005083, CBKinase1_017483, BAS 06761131, AP-853/42158609, BRD-K83194891-001-01-6
| Molecular Formula | C19H19N3O4S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 2.89024 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.10962 |
| Heavy Atoms | 27 |
| Complexity | 1084.2385 |
Chemical Identifiers
| CAS Number | 694505-01-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC3=CC=CC=C3C2=O |
Product Overview
CBKinase1_005083 (CAS 694505-01-6), with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_005083
Property Insights of CBKinase1_005083
The XLogP value of 2.89024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005083. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005083. Following Lipinski's Rule of Five, CBKinase1_005083 has 1 hydrogen bond donor(s) and 6 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_005083?
The CAS number of CBKinase1_005083 is 694505-01-6.
What is the molecular formula of CBKinase1_005083?
The molecular formula of CBKinase1_005083 is C19H19N3O4S.
What is the molecular weight of CBKinase1_005083?
The molecular weight of CBKinase1_005083 is 385.11 g/mol.
Where can I buy CBKinase1_005083?
You can request a quote for CBKinase1_005083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005083?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.