Opera_ID_1436
TL;DR: Opera_ID_1436 (CAS 384800-64-0) is a chemical compound with molecular formula C15H13FN2O5 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-fluoro-1H-indole-2-carboxylate
Also Known As: methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-fluoro-1H-indole-2-carboxylate, methyl 3-(5,6-dihydro-1,4-dioxine-2-carboxamido)-5-fluoro-1H-indole-2-carboxylate, methyl 3-[(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)amino]-5-fluoro-1H-indole-2-carboxylate, Opera_ID_1436
| Molecular Formula | C15H13FN2O5 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.08084 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 384800-64-0 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C3=COCCO3 |
| InChIKey | NAKFBMVNZZETQD-UHFFFAOYSA-N |
Product Overview
Opera_ID_1436 (CAS 384800-64-0), with molecular formula C15H13FN2O5 and molecular weight 320.08 g/mol. IUPAC: methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of Opera_ID_1436
Property Insights of Opera_ID_1436
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_1436. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_1436. Following Lipinski's Rule of Five, Opera_ID_1436 has 2 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 Opera_ID_1436?
The CAS number of Opera_ID_1436 is 384800-64-0.
What is the molecular formula of Opera_ID_1436?
The molecular formula of Opera_ID_1436 is C15H13FN2O5.
What is the molecular weight of Opera_ID_1436?
The molecular weight of Opera_ID_1436 is 320.08 g/mol.
Where can I buy Opera_ID_1436?
You can request a quote for Opera_ID_1436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_1436?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_1436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.