ChemDiv1_025642
TL;DR: ChemDiv1_025642 (CAS 340696-95-9) is a chemical compound with molecular formula C32H23NO4 and molecular weight 485.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
Also Known As: ChemDiv1_025642, A1814/0076714, benzyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name), benzyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate, benzyl 4-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)benzoate
| Molecular Formula | C32H23NO4 |
|---|---|
| Molecular Weight | 485.16 g/mol |
| LogP | 5.4402 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.16272 |
| Heavy Atoms | 37 |
| Complexity | 1443.9916 |
Chemical Identifiers
| CAS Number | 340696-95-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 |
Product Overview
ChemDiv1_025642 (CAS 340696-95-9), with molecular formula C32H23NO4 and molecular weight 485.16 g/mol. IUPAC: benzyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate.
Chemical Property Profile of ChemDiv1_025642
Property Insights of ChemDiv1_025642
The XLogP value of 5.4402 indicates that ChemDiv1_025642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025642. Following Lipinski's Rule of Five, ChemDiv1_025642 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025642?
The CAS number of ChemDiv1_025642 is 340696-95-9.
What is the molecular formula of ChemDiv1_025642?
The molecular formula of ChemDiv1_025642 is C32H23NO4.
What is the molecular weight of ChemDiv1_025642?
The molecular weight of ChemDiv1_025642 is 485.16 g/mol.
Where can I buy ChemDiv1_025642?
You can request a quote for ChemDiv1_025642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025642?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.