C25H23ClN2O3S
TL;DR: C25H23ClN2O3S (CAS 577998-58-4) is a chemical compound with molecular formula C25H23ClN2O3S and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-12,12-dimethyl-6-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
Also Known As: 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 3-(3-CHLOROPHENYL)-6,6-DIMETHYL-1-PHENETHYL-1,5,6,8-TETRAHYDRO-2H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDINE-2,4(3H)-DIONE, 3-(3-chlorophenyl)-6,6-dimethyl-1-phenethyl-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H,8H)-dione
| Molecular Formula | C25H23ClN2O3S |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 4.9613 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.1118 |
| Heavy Atoms | 32 |
| Complexity | 1433.5872 |
Chemical Identifiers
| CAS Number | 577998-58-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CCC4=CC=CC=C4)C5=CC(=CC=C5)Cl)C |
Product Overview
C25H23ClN2O3S (CAS 577998-58-4), with molecular formula C25H23ClN2O3S and molecular weight 466.11 g/mol. IUPAC: 4-(3-chlorophenyl)-12,12-dimethyl-6-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of C25H23ClN2O3S
Property Insights of C25H23ClN2O3S
The XLogP value of 4.9613 indicates that C25H23ClN2O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.23 Ų, C25H23ClN2O3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H23ClN2O3S 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 C25H23ClN2O3S?
The CAS number of C25H23ClN2O3S is 577998-58-4.
What is the molecular formula of C25H23ClN2O3S?
The molecular formula of C25H23ClN2O3S is C25H23ClN2O3S.
What is the molecular weight of C25H23ClN2O3S?
The molecular weight of C25H23ClN2O3S is 466.11 g/mol.
Where can I buy C25H23ClN2O3S?
You can request a quote for C25H23ClN2O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H23ClN2O3S?
Yes, KEHONG BIO provides custom synthesis services for C25H23ClN2O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.