A2069/0087021
TL;DR: A2069/0087021 (CAS 59873-34-6) is a chemical compound with molecular formula C22H18N6 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,9-diamino-7,10-diphenyl-1,4-diazatricyclo[5.2.1.04,10]deca-5,8-diene-6,8-dicarbonitrile
Also Known As: A2069/0087021, 2,5-diamino-6a,6b-diphenyl-3,4,6a,6b-tetrahydro-2a,4a-diazacyclopenta[cd]pentalene-1,6-dicarbonitrile, 3,6-diamino-2a1,4a-diphenyl-1,2,2a1,4a-tetrahydro-2a,6a-diazacyclopenta[cd]pentalene-4,5-dicarbonitrile
| Molecular Formula | C22H18N6 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 1.80996 |
| Topological Polar Surface Area | 106.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.1593 |
| Heavy Atoms | 28 |
| Complexity | 1071.112 |
Chemical Identifiers
| CAS Number | 59873-34-6 |
|---|---|
| SMILES | C1CN2C(=C(C3(C2(N1C(=C3C#N)N)C4=CC=CC=C4)C5=CC=CC=C5)C#N)N |
Product Overview
A2069/0087021 (CAS 59873-34-6), with molecular formula C22H18N6 and molecular weight 366.16 g/mol. IUPAC: 5,9-diamino-7,10-diphenyl-1,4-diazatricyclo[5.2.1.04,10]deca-5,8-diene-6,8-dicarbonitrile.
Chemical Property Profile of A2069/0087021
Property Insights of A2069/0087021
The XLogP value of 1.80996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2069/0087021. The TPSA of 106.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A2069/0087021. Following Lipinski's Rule of Five, A2069/0087021 has 2 hydrogen bond donor(s) and 6 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 A2069/0087021?
The CAS number of A2069/0087021 is 59873-34-6.
What is the molecular formula of A2069/0087021?
The molecular formula of A2069/0087021 is C22H18N6.
What is the molecular weight of A2069/0087021?
The molecular weight of A2069/0087021 is 366.16 g/mol.
Where can I buy A2069/0087021?
You can request a quote for A2069/0087021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2069/0087021?
Yes, KEHONG BIO provides custom synthesis services for A2069/0087021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.