C23H22Cl2N4OS2
TL;DR: C23H22Cl2N4OS2 (CAS 1010871-19-8) is a chemical compound with molecular formula C23H22Cl2N4OS2 and molecular weight 504.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-((2,6-dichlorobenzyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[(2,6-dichlorobenzyl)sulfanyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C23H22Cl2N4OS2 |
|---|---|
| Molecular Weight | 504.06 g/mol |
| LogP | 6.94424 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.06122 |
| Heavy Atoms | 32 |
| Complexity | 1325.5137 |
Chemical Identifiers
| CAS Number | 1010871-19-8 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC5=C(C=CC=C5Cl)Cl)C |
Product Overview
C23H22Cl2N4OS2 (CAS 1010871-19-8), with molecular formula C23H22Cl2N4OS2 and molecular weight 504.06 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of C23H22Cl2N4OS2
Property Insights of C23H22Cl2N4OS2
The XLogP value of 6.94424 indicates that C23H22Cl2N4OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.83 Ų, C23H22Cl2N4OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H22Cl2N4OS2 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H22Cl2N4OS2?
The CAS number of C23H22Cl2N4OS2 is 1010871-19-8.
What is the molecular formula of C23H22Cl2N4OS2?
The molecular formula of C23H22Cl2N4OS2 is C23H22Cl2N4OS2.
What is the molecular weight of C23H22Cl2N4OS2?
The molecular weight of C23H22Cl2N4OS2 is 504.06 g/mol.
Where can I buy C23H22Cl2N4OS2?
You can request a quote for C23H22Cl2N4OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H22Cl2N4OS2?
Yes, KEHONG BIO provides custom synthesis services for C23H22Cl2N4OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.