ChemDiv1_005729
TL;DR: ChemDiv1_005729 (CAS 357933-05-2) is a chemical compound with molecular formula C29H24F2N2O6 and molecular weight 534.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,10-bis(4-fluorophenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-13-yl] propanoate
Also Known As: ChemDiv1_005729, 2,6-bis(4-fluorophenyl)-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindol-9-yl propanoate, 2,6-bis(4-fluorophenyl)-8,10-dimethyl-1,3,5,7-tetraoxo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindol-9-yl propionate, 4,10-BIS(4-FLUOROPHENYL)-1,14-DIMETHYL-3,5,9,11-TETRAOXO-4,10-DIAZATETRACYCLO[5.5.2.0(2),?.0?,(1)(2)]TETRADEC-13-EN-13-YL PROPANOATE, 4,10-BIS(4-FLUOROPHENYL)-1,14-DIMETHYL-3,5,9,11-TETRAOXO-4,10-DIAZATETRACYCLO[5.5.2.0~2,6~.0~8,12~]TETRADEC-13-EN-13-YL PROPIONATE
| Molecular Formula | C29H24F2N2O6 |
|---|---|
| Molecular Weight | 534.16 g/mol |
| LogP | 3.7531 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.1602 |
| Heavy Atoms | 39 |
| Complexity | 1409.1261 |
Chemical Identifiers
| CAS Number | 357933-05-2 |
|---|---|
| SMILES | CCC(=O)OC1=C(C2C3C(C1(C4C2C(=O)N(C4=O)C5=CC=C(C=C5)F)C)C(=O)N(C3=O)C6=CC=C(C=C6)F)C |
Product Overview
ChemDiv1_005729 (CAS 357933-05-2), with molecular formula C29H24F2N2O6 and molecular weight 534.16 g/mol. IUPAC: [4,10-bis(4-fluorophenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-13-yl] propanoate.
Chemical Property Profile of ChemDiv1_005729
Property Insights of ChemDiv1_005729
The XLogP value of 3.7531 indicates that ChemDiv1_005729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005729. Following Lipinski's Rule of Five, ChemDiv1_005729 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_005729?
The CAS number of ChemDiv1_005729 is 357933-05-2.
What is the molecular formula of ChemDiv1_005729?
The molecular formula of ChemDiv1_005729 is C29H24F2N2O6.
What is the molecular weight of ChemDiv1_005729?
The molecular weight of ChemDiv1_005729 is 534.16 g/mol.
Where can I buy ChemDiv1_005729?
You can request a quote for ChemDiv1_005729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005729?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.