8H-029
TL;DR: 8H-029 (CAS 439111-85-0) is a chemical compound with molecular formula C28H26Cl2N6O2 and molecular weight 548.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-morpholin-4-ylmethyl]pyridazin-3-yl]-2-morpholin-4-ylacetonitrile
Also Known As: 8H-029, 2-(4-chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-morpholin-4-ylmethyl]pyridazin-3-yl]-2-morpholin-4-ylacetonitrile, 2-(4-chlorophenyl)-2-{6-[1-(4-chlorophenyl)-1-morpholino-2-nitriloethyl]-3-pyridazinyl}-2-morpholinoacetonitrile, 2-(4-chlorophenyl)-2-{6-[(4-chlorophenyl)(cyano)(morpholin-4-yl)methyl]pyridazin-3-yl}-2-(morpholin-4-yl)acetonitrile, 2-(4-chlorophenyl)-2-{6-[(4-chlorophenyl)(cyano)morpholin-4-ylmethyl]pyridazin-3-yl}-2-(morpholin-4-yl)acetonitrile
| Molecular Formula | C28H26Cl2N6O2 |
|---|---|
| Molecular Weight | 548.15 g/mol |
| LogP | 3.98216 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.1494 |
| Heavy Atoms | 38 |
| Complexity | 1223.7471 |
Chemical Identifiers
| CAS Number | 439111-85-0 |
|---|---|
| SMILES | C1COCCN1C(C#N)(C2=CC=C(C=C2)Cl)C3=NN=C(C=C3)C(C#N)(C4=CC=C(C=C4)Cl)N5CCOCC5 |
Product Overview
8H-029 (CAS 439111-85-0), with molecular formula C28H26Cl2N6O2 and molecular weight 548.15 g/mol. IUPAC: 2-(4-chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-morpholin-4-ylmethyl]pyridazin-3-yl]-2-morpholin-4-ylacetonitrile.
Chemical Property Profile of 8H-029
Property Insights of 8H-029
The XLogP value of 3.98216 indicates that 8H-029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8H-029. Following Lipinski's Rule of Five, 8H-029 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8H-029?
The CAS number of 8H-029 is 439111-85-0.
What is the molecular formula of 8H-029?
The molecular formula of 8H-029 is C28H26Cl2N6O2.
What is the molecular weight of 8H-029?
The molecular weight of 8H-029 is 548.15 g/mol.
Where can I buy 8H-029?
You can request a quote for 8H-029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8H-029?
Yes, KEHONG BIO provides custom synthesis services for 8H-029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.