CBKinase1_005451
TL;DR: CBKinase1_005451 (CAS 674308-32-8) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
Also Known As: CBKinase1_005451, CBKinase1_017851, AJ-292/42284844, 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione, 3-[(4,6-dihydroxy-5-propyl-2-pyrimidinyl)thio]-1-(4-phenoxyphenyl)-2,5-pyrrolidinedione
| Molecular Formula | C23H21N3O5S |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 3.6445 |
| Topological Polar Surface Area | 112.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.12018 |
| Heavy Atoms | 32 |
| Complexity | 1194.5038 |
Chemical Identifiers
| CAS Number | 674308-32-8 |
|---|---|
| SMILES | CCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O |
Product Overview
CBKinase1_005451 (CAS 674308-32-8), with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol. IUPAC: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of CBKinase1_005451
Property Insights of CBKinase1_005451
The XLogP value of 3.6445 indicates that CBKinase1_005451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.59 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005451. Following Lipinski's Rule of Five, CBKinase1_005451 has 2 hydrogen bond donor(s) and 7 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_005451?
The CAS number of CBKinase1_005451 is 674308-32-8.
What is the molecular formula of CBKinase1_005451?
The molecular formula of CBKinase1_005451 is C23H21N3O5S.
What is the molecular weight of CBKinase1_005451?
The molecular weight of CBKinase1_005451 is 451.12 g/mol.
Where can I buy CBKinase1_005451?
You can request a quote for CBKinase1_005451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005451?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.