C258-0389
TL;DR: C258-0389 (CAS 577998-55-1) is a chemical compound with molecular formula C23H17ClN2O3S and molecular weight 436.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-9-phenacyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: C258-0389, 3-(4-chlorophenyl)-1-(2-oxo-2-phenylethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 2-(4-chlorophenyl)-4-phenacyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidine-1,3-dione, 3-(4-chlorophenyl)-1-(2-oxo-2-phenylethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C23H17ClN2O3S |
|---|---|
| Molecular Weight | 436.06 g/mol |
| LogP | 4.2389 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.06485 |
| Heavy Atoms | 30 |
| Complexity | 1399.1503 |
Chemical Identifiers
| CAS Number | 577998-55-1 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
C258-0389 (CAS 577998-55-1), with molecular formula C23H17ClN2O3S and molecular weight 436.06 g/mol. IUPAC: 11-(4-chlorophenyl)-9-phenacyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
Chemical Property Profile of C258-0389
Property Insights of C258-0389
The XLogP value of 4.2389 indicates that C258-0389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for C258-0389. Following Lipinski's Rule of Five, C258-0389 has 0 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 C258-0389?
The CAS number of C258-0389 is 577998-55-1.
What is the molecular formula of C258-0389?
The molecular formula of C258-0389 is C23H17ClN2O3S.
What is the molecular weight of C258-0389?
The molecular weight of C258-0389 is 436.06 g/mol.
Where can I buy C258-0389?
You can request a quote for C258-0389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C258-0389?
Yes, KEHONG BIO provides custom synthesis services for C258-0389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.