RefChem:558216
TL;DR: RefChem:558216 (CAS 68077-28-1) is a chemical compound with molecular formula C38H20Cl2N2O4 and molecular weight 638.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,18-bis(5-chloro-2-methylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
Also Known As: Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(5-chloro-2-methylphenyl)-, Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(5-chloro-2-methylphenyl)-, 2,9-Bis(5-chloro-2-methylphenyl)anthra[2,1,9-def:6,5,10-d e f ]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-Bis(5-chloro-2-methylphenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, 7,18-bis(5-chloro-2-methylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
| Molecular Formula | C38H20Cl2N2O4 |
|---|---|
| Molecular Weight | 638.08 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 638.08 |
| Heavy Atoms | 46 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 68077-28-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=C(C=CC(=C9)Cl)C)C2=O |
| InChIKey | ZIESCSNHWJGFKK-UHFFFAOYSA-N |
Product Overview
RefChem:558216 (CAS 68077-28-1), with molecular formula C38H20Cl2N2O4 and molecular weight 638.08 g/mol. IUPAC: 7,18-bis(5-chloro-2-methylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
Chemical Property Profile of RefChem:558216
Property Insights of RefChem:558216
The XLogP value of 8.8 indicates that RefChem:558216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:558216. Following Lipinski's Rule of Five, RefChem:558216 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:558216?
The CAS number of RefChem:558216 is 68077-28-1.
What is the molecular formula of RefChem:558216?
The molecular formula of RefChem:558216 is C38H20Cl2N2O4.
What is the molecular weight of RefChem:558216?
The molecular weight of RefChem:558216 is 638.08 g/mol.
Where can I buy RefChem:558216?
You can request a quote for RefChem:558216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:558216?
Yes, KEHONG BIO provides custom synthesis services for RefChem:558216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.