ChemDiv2_004536
TL;DR: ChemDiv2_004536 (CAS 526188-60-3) is a chemical compound with molecular formula C22H19NO4 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-tert-butyl-12,18-dioxa-16-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),20-heptaene-3,10-dione
Also Known As: ChemDiv2_004536, IDI1_003251, 2-(tert-butyl)-2,3-dihydro-1H-naphtho[2',3':2,3]benzofuro[7,6-e][1,3]oxazine-7,12-dione, AF-399/41378423, F1217-0039
| Molecular Formula | C22H19NO4 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 4.1586 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 361.1314 |
| Heavy Atoms | 27 |
| Complexity | 1133.1556 |
Chemical Identifiers
| CAS Number | 526188-60-3 |
|---|---|
| SMILES | CC(C)(C)N1CC2=C(C=CC3=C2OC4=C3C(=O)C5=CC=CC=C5C4=O)OC1 |
Product Overview
ChemDiv2_004536 (CAS 526188-60-3), with molecular formula C22H19NO4 and molecular weight 361.13 g/mol. IUPAC: 16-tert-butyl-12,18-dioxa-16-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),20-heptaene-3,10-dione.
Chemical Property Profile of ChemDiv2_004536
Property Insights of ChemDiv2_004536
The XLogP value of 4.1586 indicates that ChemDiv2_004536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.75 Ų, ChemDiv2_004536 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004536 has 0 hydrogen bond donor(s) and 5 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 ChemDiv2_004536?
The CAS number of ChemDiv2_004536 is 526188-60-3.
What is the molecular formula of ChemDiv2_004536?
The molecular formula of ChemDiv2_004536 is C22H19NO4.
What is the molecular weight of ChemDiv2_004536?
The molecular weight of ChemDiv2_004536 is 361.13 g/mol.
Where can I buy ChemDiv2_004536?
You can request a quote for ChemDiv2_004536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004536?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.