C29H28Cl2N6O4
TL;DR: C29H28Cl2N6O4 (CAS 1024447-18-4) is a chemical compound with molecular formula C29H28Cl2N6O4 and molecular weight 594.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-6-(morpholine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one
Also Known As: 2-{(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl}-7-(morpholin-4-ylcarbonyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, (3aS,6R)-2-((2,4-dichlorophenyl)(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-7-(morpholine-4-carbonyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C29H28Cl2N6O4
| Molecular Formula | C29H28Cl2N6O4 |
|---|---|
| Molecular Weight | 594.15 g/mol |
| LogP | 3.31614 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 594.1549 |
| Heavy Atoms | 41 |
| Complexity | 1566.6829 |
Chemical Identifiers
| CAS Number | 1024447-18-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=C(C=C(C=C3)Cl)Cl)N4CC56C=CC(O5)C(C6C4=O)C(=O)N7CCOCC7 |
Product Overview
C29H28Cl2N6O4 (CAS 1024447-18-4), with molecular formula C29H28Cl2N6O4 and molecular weight 594.15 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-6-(morpholine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one.
Chemical Property Profile of C29H28Cl2N6O4
Property Insights of C29H28Cl2N6O4
The XLogP value of 3.31614 indicates that C29H28Cl2N6O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H28Cl2N6O4. Following Lipinski's Rule of Five, C29H28Cl2N6O4 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H28Cl2N6O4?
The CAS number of C29H28Cl2N6O4 is 1024447-18-4.
What is the molecular formula of C29H28Cl2N6O4?
The molecular formula of C29H28Cl2N6O4 is C29H28Cl2N6O4.
What is the molecular weight of C29H28Cl2N6O4?
The molecular weight of C29H28Cl2N6O4 is 594.15 g/mol.
Where can I buy C29H28Cl2N6O4?
You can request a quote for C29H28Cl2N6O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H28Cl2N6O4?
Yes, KEHONG BIO provides custom synthesis services for C29H28Cl2N6O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.