CBKinase1_000165
TL;DR: CBKinase1_000165 (CAS 304686-88-2) is a chemical compound with molecular formula C18H17BrN4O5S and molecular weight 480.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: CBKinase1_000165, CBKinase1_012565, BRD-K06854356-001-01-7, diethyl 5-{[(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C18H17BrN4O5S |
|---|---|
| Molecular Weight | 480.01 g/mol |
| LogP | 3.46742 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.0103 |
| Heavy Atoms | 29 |
| Complexity | 1107.3053 |
Chemical Identifiers
| CAS Number | 304686-88-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C=C(C=NC3=C2)Br |
Product Overview
CBKinase1_000165 (CAS 304686-88-2), with molecular formula C18H17BrN4O5S and molecular weight 480.01 g/mol. IUPAC: diethyl 5-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of CBKinase1_000165
Property Insights of CBKinase1_000165
The XLogP value of 3.46742 indicates that CBKinase1_000165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000165. Following Lipinski's Rule of Five, CBKinase1_000165 has 1 hydrogen bond donor(s) and 8 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_000165?
The CAS number of CBKinase1_000165 is 304686-88-2.
What is the molecular formula of CBKinase1_000165?
The molecular formula of CBKinase1_000165 is C18H17BrN4O5S.
What is the molecular weight of CBKinase1_000165?
The molecular weight of CBKinase1_000165 is 480.01 g/mol.
Where can I buy CBKinase1_000165?
You can request a quote for CBKinase1_000165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000165?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.