CBKinase1_003580
TL;DR: CBKinase1_003580 (CAS 685844-83-1) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: CBKinase1_003580, CBKinase1_015980, AP-906/42087626, BRD-K77968751-001-01-0, isopropyl 5-methyl-4-oxo-3-[2-oxo-2-(4-toluidino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.27874 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1097.0765 |
Chemical Identifiers
| CAS Number | 685844-83-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC(C)C)C |
Product Overview
CBKinase1_003580 (CAS 685844-83-1), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: propan-2-yl 5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of CBKinase1_003580
Property Insights of CBKinase1_003580
The XLogP value of 3.27874 indicates that CBKinase1_003580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003580. Following Lipinski's Rule of Five, CBKinase1_003580 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_003580?
The CAS number of CBKinase1_003580 is 685844-83-1.
What is the molecular formula of CBKinase1_003580?
The molecular formula of CBKinase1_003580 is C20H21N3O4S.
What is the molecular weight of CBKinase1_003580?
The molecular weight of CBKinase1_003580 is 399.13 g/mol.
Where can I buy CBKinase1_003580?
You can request a quote for CBKinase1_003580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003580?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.