ChemDiv1_023659
TL;DR: ChemDiv1_023659 (CAS 485397-53-3) is a chemical compound with molecular formula C25H25NO4 and molecular weight 403.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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)hexanoate
Also Known As: ChemDiv1_023659, BAS 02800617, methyl 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)hexanoate, methyl 2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)hexanoate, methyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca- 2(7),3,5,9(14),10,12-hexaen-17-yl)hexanoate
| Molecular Formula | C25H25NO4 |
|---|---|
| Molecular Weight | 403.18 g/mol |
| LogP | 3.6104 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.17834 |
| Heavy Atoms | 30 |
| Complexity | 929.4491 |
Chemical Identifiers
| CAS Number | 485397-53-3 |
|---|---|
| SMILES | CCCCC(C(=O)OC)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 |
Product Overview
ChemDiv1_023659 (CAS 485397-53-3), with molecular formula C25H25NO4 and molecular weight 403.18 g/mol. IUPAC: methyl 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)hexanoate.
Chemical Property Profile of ChemDiv1_023659
Property Insights of ChemDiv1_023659
The XLogP value of 3.6104 indicates that ChemDiv1_023659 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_023659. Following Lipinski's Rule of Five, ChemDiv1_023659 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_023659?
The CAS number of ChemDiv1_023659 is 485397-53-3.
What is the molecular formula of ChemDiv1_023659?
The molecular formula of ChemDiv1_023659 is C25H25NO4.
What is the molecular weight of ChemDiv1_023659?
The molecular weight of ChemDiv1_023659 is 403.18 g/mol.
Where can I buy ChemDiv1_023659?
You can request a quote for ChemDiv1_023659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023659?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.