ChemDiv1_022495
TL;DR: ChemDiv1_022495 (CAS 309939-06-8) 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.
17-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-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_022495, MixCom6_001403, BAS 00846864, BIM-0031082.P001, A1851/0077923
| Molecular Formula | C29H27NO4 |
|---|---|
| Molecular Weight | 453.19 g/mol |
| LogP | 4.3126 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.194 |
| Heavy Atoms | 34 |
| Complexity | 1281.7108 |
Chemical Identifiers
| CAS Number | 309939-06-8 |
|---|---|
| SMILES | CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)CCC6=CC(=C(C=C6)OC)OC |
Product Overview
ChemDiv1_022495 (CAS 309939-06-8), with molecular formula C29H27NO4 and molecular weight 453.19 g/mol. IUPAC: 17-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-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_022495
Property Insights of ChemDiv1_022495
The XLogP value of 4.3126 indicates that ChemDiv1_022495 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_022495 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022495 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_022495?
The CAS number of ChemDiv1_022495 is 309939-06-8.
What is the molecular formula of ChemDiv1_022495?
The molecular formula of ChemDiv1_022495 is C29H27NO4.
What is the molecular weight of ChemDiv1_022495?
The molecular weight of ChemDiv1_022495 is 453.19 g/mol.
Where can I buy ChemDiv1_022495?
You can request a quote for ChemDiv1_022495 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022495?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.