C23H14Cl2N4S
TL;DR: C23H14Cl2N4S (CAS 497083-15-5) is a chemical compound with molecular formula C23H14Cl2N4S and molecular weight 448.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-anthracen-9-ylmethylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((anthracen-9-ylmethylene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-((9-ANTHRYLMETHYLENE)AMINO)5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 4-(anthracen-9-ylmethylideneamino)-5-(2,4-dichlorophenyl)-2H-1,2,4-triazole-3-thione, 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C23H14Cl2N4S |
|---|---|
| Molecular Weight | 448.03 g/mol |
| LogP | 7.10309 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.03162 |
| Heavy Atoms | 30 |
| Complexity | 1446.6934 |
Chemical Identifiers
| CAS Number | 497083-15-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/N4C(=NNC4=S)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
C23H14Cl2N4S (CAS 497083-15-5), with molecular formula C23H14Cl2N4S and molecular weight 448.03 g/mol. IUPAC: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C23H14Cl2N4S
Property Insights of C23H14Cl2N4S
The XLogP value of 7.10309 indicates that C23H14Cl2N4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, C23H14Cl2N4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H14Cl2N4S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H14Cl2N4S?
The CAS number of C23H14Cl2N4S is 497083-15-5.
What is the molecular formula of C23H14Cl2N4S?
The molecular formula of C23H14Cl2N4S is C23H14Cl2N4S.
What is the molecular weight of C23H14Cl2N4S?
The molecular weight of C23H14Cl2N4S is 448.03 g/mol.
Where can I buy C23H14Cl2N4S?
You can request a quote for C23H14Cl2N4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H14Cl2N4S?
Yes, KEHONG BIO provides custom synthesis services for C23H14Cl2N4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.