IBS_STOCK5S-49473
TL;DR: IBS_STOCK5S-49473 (CAS 637749-11-2) is a chemical compound with molecular formula C22H17NO7 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(cyanomethoxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-2-carboxylate
Also Known As: IBS_STOCK5S-49473, ethyl 7-(cyanomethoxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromene-2-carboxylate, VU0510236-1, 3-Fluoro-N-[(3,4,5-trifluorophenyl)methyl]aniline, F3139-1382
| Molecular Formula | C22H17NO7 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 3.31028 |
| Topological Polar Surface Area | 107.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.1005 |
| Heavy Atoms | 30 |
| Complexity | 1222.6088 |
Chemical Identifiers
| CAS Number | 637749-11-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC#N)C3=CC4=C(C=C3)OCCO4 |
Product Overview
IBS_STOCK5S-49473 (CAS 637749-11-2), with molecular formula C22H17NO7 and molecular weight 407.10 g/mol. IUPAC: ethyl 7-(cyanomethoxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-2-carboxylate.
Chemical Property Profile of IBS_STOCK5S-49473
Property Insights of IBS_STOCK5S-49473
The XLogP value of 3.31028 indicates that IBS_STOCK5S-49473 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.99 Ų falls within the moderate polarity range, balancing permeability and solubility for IBS_STOCK5S-49473. Following Lipinski's Rule of Five, IBS_STOCK5S-49473 has 0 hydrogen bond donor(s) and 8 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 IBS_STOCK5S-49473?
The CAS number of IBS_STOCK5S-49473 is 637749-11-2.
What is the molecular formula of IBS_STOCK5S-49473?
The molecular formula of IBS_STOCK5S-49473 is C22H17NO7.
What is the molecular weight of IBS_STOCK5S-49473?
The molecular weight of IBS_STOCK5S-49473 is 407.10 g/mol.
Where can I buy IBS_STOCK5S-49473?
You can request a quote for IBS_STOCK5S-49473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IBS_STOCK5S-49473?
Yes, KEHONG BIO provides custom synthesis services for IBS_STOCK5S-49473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.