ChemDiv3_006918
TL;DR: ChemDiv3_006918 (CAS 879940-83-7) is a chemical compound with molecular formula C25H17FN2O6S and molecular weight 492.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv3_006918, IDI1_024828, BRD-A26584563-001-01-7, allyl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate, prop-2-en-1-yl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H17FN2O6S |
|---|---|
| Molecular Weight | 492.08 g/mol |
| LogP | 4.49522 |
| Topological Polar Surface Area | 109.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.07913 |
| Heavy Atoms | 35 |
| Complexity | 1573.6178 |
Chemical Identifiers
| CAS Number | 879940-83-7 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=C(C3=O)C=C(C=C4)F)C5=CC=C(C=C5)O)C(=O)OCC=C |
Product Overview
ChemDiv3_006918 (CAS 879940-83-7), with molecular formula C25H17FN2O6S and molecular weight 492.08 g/mol. IUPAC: prop-2-enyl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv3_006918
Property Insights of ChemDiv3_006918
The XLogP value of 4.49522 indicates that ChemDiv3_006918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006918. Following Lipinski's Rule of Five, ChemDiv3_006918 has 1 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 ChemDiv3_006918?
The CAS number of ChemDiv3_006918 is 879940-83-7.
What is the molecular formula of ChemDiv3_006918?
The molecular formula of ChemDiv3_006918 is C25H17FN2O6S.
What is the molecular weight of ChemDiv3_006918?
The molecular weight of ChemDiv3_006918 is 492.08 g/mol.
Where can I buy ChemDiv3_006918?
You can request a quote for ChemDiv3_006918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006918?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.