ChemDiv1_006166
TL;DR: ChemDiv1_006166 (CAS 374550-31-9) is a chemical compound with molecular formula C32H34N4O4 and molecular weight 538.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-2-(diethylaminomethyl)-1-methyl-6,8-diphenylpyrrolo[2,3-e]indazole-3-carboxylate
Also Known As: ChemDiv1_006166, ethyl 5-(acetyloxy)-2-[(diethylamino)methyl]-1-methyl-6,8-diphenyl-1,6-dihydropyrrolo[2,3-e]indazole-3-carboxylate, ETHYL 5-(ACETYLOXY)-2-[(DIETHYLAMINO)METHYL]-1-METHYL-6,8-DIPHENYL-1H,6H-PYRROLO[2,3-E]INDAZOLE-3-CARBOXYLATE, ethyl 5-acetoxy-2-((diethylamino)methyl)-1-methyl-6,8-diphenyl-1,6-dihydropyrrolo[2,3-e]indazole-3-carboxylate, ethyl 5-acetyloxy-2-(diethylaminomethyl)-1-methyl-6,8-diphenylpyrrolo[2,3-e]indazole-3-carboxylate
| Molecular Formula | C32H34N4O4 |
|---|---|
| Molecular Weight | 538.26 g/mol |
| LogP | 6.128 |
| Topological Polar Surface Area | 78.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.258 |
| Heavy Atoms | 40 |
| Complexity | 1682.8109 |
Chemical Identifiers
| CAS Number | 374550-31-9 |
|---|---|
| SMILES | CCN(CC)CC1=C(C2=CC(=C3C(=C2N1C)C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C)C(=O)OCC |
Product Overview
ChemDiv1_006166 (CAS 374550-31-9), with molecular formula C32H34N4O4 and molecular weight 538.26 g/mol. IUPAC: ethyl 5-acetyloxy-2-(diethylaminomethyl)-1-methyl-6,8-diphenylpyrrolo[2,3-e]indazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_006166
Property Insights of ChemDiv1_006166
The XLogP value of 6.128 indicates that ChemDiv1_006166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006166. Following Lipinski's Rule of Five, ChemDiv1_006166 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006166?
The CAS number of ChemDiv1_006166 is 374550-31-9.
What is the molecular formula of ChemDiv1_006166?
The molecular formula of ChemDiv1_006166 is C32H34N4O4.
What is the molecular weight of ChemDiv1_006166?
The molecular weight of ChemDiv1_006166 is 538.26 g/mol.
Where can I buy ChemDiv1_006166?
You can request a quote for ChemDiv1_006166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006166?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.