ChemDiv1_023785
TL;DR: ChemDiv1_023785 (CAS 1033699-30-7) is a chemical compound with molecular formula C33H25N3O5 and molecular weight 543.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-nitrophenyl)-3-phenylpropanamide
Also Known As: ChemDiv1_023785, 2-(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)-N-(4-nitrophenyl)-3-phenylpropanamide (non-preferred name), 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-nitrophenyl)-3-phenylpropanamide, 2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)-N-(4-nitrophenyl)-3-phenylpropanamide, 2-(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)-N-(4-NITROPHENYL)-3-PHENYLPROPANAMIDE
| Molecular Formula | C33H25N3O5 |
|---|---|
| Molecular Weight | 543.18 g/mol |
| LogP | 5.0368 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.17944 |
| Heavy Atoms | 41 |
| Complexity | 1603.1052 |
Chemical Identifiers
| CAS Number | 1033699-30-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 |
Product Overview
ChemDiv1_023785 (CAS 1033699-30-7), with molecular formula C33H25N3O5 and molecular weight 543.18 g/mol. IUPAC: 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-nitrophenyl)-3-phenylpropanamide.
Chemical Property Profile of ChemDiv1_023785
Property Insights of ChemDiv1_023785
The XLogP value of 5.0368 indicates that ChemDiv1_023785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023785. Following Lipinski's Rule of Five, ChemDiv1_023785 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023785?
The CAS number of ChemDiv1_023785 is 1033699-30-7.
What is the molecular formula of ChemDiv1_023785?
The molecular formula of ChemDiv1_023785 is C33H25N3O5.
What is the molecular weight of ChemDiv1_023785?
The molecular weight of ChemDiv1_023785 is 543.18 g/mol.
Where can I buy ChemDiv1_023785?
You can request a quote for ChemDiv1_023785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023785?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.