ChemDiv1_022189
TL;DR: ChemDiv1_022189 (CAS 328009-62-7) is a chemical compound with molecular formula C29H27NO4 and molecular weight 453.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethoxymethyl)-17-(2-phenylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: ChemDiv1_022189, BAS 00394066, AB00091474-01, 9-(dimethoxymethyl)-13-(2-phenylethyl)-9,10-dihydro-12,14-dioxo-9,10-[3,4]pyrrolidinoanthracene, 1-(dimethoxymethyl)-17-(2-phenylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C29H27NO4 |
|---|---|
| Molecular Weight | 453.19 g/mol |
| LogP | 3.8944 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.194 |
| Heavy Atoms | 34 |
| Complexity | 1218.387 |
Chemical Identifiers
| CAS Number | 328009-62-7 |
|---|---|
| SMILES | COC(C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)CCC6=CC=CC=C6)OC |
Product Overview
ChemDiv1_022189 (CAS 328009-62-7), with molecular formula C29H27NO4 and molecular weight 453.19 g/mol. IUPAC: 1-(dimethoxymethyl)-17-(2-phenylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of ChemDiv1_022189
Property Insights of ChemDiv1_022189
The XLogP value of 3.8944 indicates that ChemDiv1_022189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, ChemDiv1_022189 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022189 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022189?
The CAS number of ChemDiv1_022189 is 328009-62-7.
What is the molecular formula of ChemDiv1_022189?
The molecular formula of ChemDiv1_022189 is C29H27NO4.
What is the molecular weight of ChemDiv1_022189?
The molecular weight of ChemDiv1_022189 is 453.19 g/mol.
Where can I buy ChemDiv1_022189?
You can request a quote for ChemDiv1_022189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022189?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.