ChemDiv1_022413
TL;DR: ChemDiv1_022413 (CAS 331750-88-0) is a chemical compound with molecular formula C28H25NO4 and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethoxymethyl)-17-(4-methylphenyl)-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_022413, BAS 00551766, (9S,10S,11S,15S)-9-(dimethoxymethyl)-13-(p-tolyl)-11,15-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(10H,13H)-dione, 1-(DIMETHOXYMETHYL)-17-(4-METHYLPHENYL)-17-AZAPENTACYCLO[6.6.5.0~2,7~.0~9,14~.0~15,19~]NONADECA-2,4,6,9,11,13-HEXAENE-16,18-DIONE, 1-(dimethoxymethyl)-17-(4-methylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
| Molecular Formula | C28H25NO4 |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | 4.16472 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.17834 |
| Heavy Atoms | 33 |
| Complexity | 1229.5647 |
Chemical Identifiers
| CAS Number | 331750-88-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C(OC)OC |
Product Overview
ChemDiv1_022413 (CAS 331750-88-0), with molecular formula C28H25NO4 and molecular weight 439.18 g/mol. IUPAC: 1-(dimethoxymethyl)-17-(4-methylphenyl)-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_022413
Property Insights of ChemDiv1_022413
The XLogP value of 4.16472 indicates that ChemDiv1_022413 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_022413 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022413 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_022413?
The CAS number of ChemDiv1_022413 is 331750-88-0.
What is the molecular formula of ChemDiv1_022413?
The molecular formula of ChemDiv1_022413 is C28H25NO4.
What is the molecular weight of ChemDiv1_022413?
The molecular weight of ChemDiv1_022413 is 439.18 g/mol.
Where can I buy ChemDiv1_022413?
You can request a quote for ChemDiv1_022413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022413?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.