IFLab1_004598
TL;DR: IFLab1_004598 (CAS 379252-72-9) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9-(2-hydroxyethyl)-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene-5-carboxylate
Also Known As: IFLab1_004598, IDI1_010353, AF-399/40826259, ethyl 3-(2-hydroxyethyl)-6-methyl-3,4-dihydro-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazine-5-carboxylate, F1094-0158
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.21532 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 990.93463 |
Chemical Identifiers
| CAS Number | 379252-72-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C3=C(C4=CC=CC=C42)OCN(C3)CCO)C |
Product Overview
IFLab1_004598 (CAS 379252-72-9), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: ethyl 9-(2-hydroxyethyl)-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene-5-carboxylate.
Chemical Property Profile of IFLab1_004598
Property Insights of IFLab1_004598
The XLogP value of 3.21532 indicates that IFLab1_004598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.14 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004598. Following Lipinski's Rule of Five, IFLab1_004598 has 1 hydrogen bond donor(s) and 6 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 IFLab1_004598?
The CAS number of IFLab1_004598 is 379252-72-9.
What is the molecular formula of IFLab1_004598?
The molecular formula of IFLab1_004598 is C20H21NO5.
What is the molecular weight of IFLab1_004598?
The molecular weight of IFLab1_004598 is 355.14 g/mol.
Where can I buy IFLab1_004598?
You can request a quote for IFLab1_004598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004598?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.