EINECS 268-468-0
TL;DR: EINECS 268-468-0 (CAS 68092-70-6) is a chemical compound with molecular formula C25H15ClN2OS and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-chlorophenyl)sulfanyl-6-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one
Also Known As: EINECS 268-468-0, EINECS 306-828-1, 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-, 3-[(4-Chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3(4)-((4-Chlorophenyl)thio)-11-methyl-7-oxo-7H-benzimidazo(2,1-a)benz(de)isoquinoline
| Molecular Formula | C25H15ClN2OS |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 6.70492 |
| Topological Polar Surface Area | 34.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.05936 |
| Heavy Atoms | 30 |
| Complexity | 1654.7576 |
Chemical Identifiers
| CAS Number | 68092-70-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3C(=N2)C4=C5C(=C(C=C4)SC6=CC=C(C=C6)Cl)C=CC=C5C3=O |
Product Overview
EINECS 268-468-0 (CAS 68092-70-6), with molecular formula C25H15ClN2OS and molecular weight 426.06 g/mol. IUPAC: 17-(4-chlorophenyl)sulfanyl-6-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one.
Chemical Property Profile of EINECS 268-468-0
Property Insights of EINECS 268-468-0
The XLogP value of 6.70492 indicates that EINECS 268-468-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.37 Ų, EINECS 268-468-0 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 268-468-0 has 0 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 EINECS 268-468-0?
The CAS number of EINECS 268-468-0 is 68092-70-6.
What is the molecular formula of EINECS 268-468-0?
The molecular formula of EINECS 268-468-0 is C25H15ClN2OS.
What is the molecular weight of EINECS 268-468-0?
The molecular weight of EINECS 268-468-0 is 426.06 g/mol.
Where can I buy EINECS 268-468-0?
You can request a quote for EINECS 268-468-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-468-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-468-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.