RefChem:305135
TL;DR: RefChem:305135 (CAS 115091-93-5) is a chemical compound with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-2-propoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
Also Known As: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2-propoxy-, 4-(1,3-Benzodioxol-5-yl)-2-propoxy-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2-propoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile, 2-Propoxy-4-[3,4-(methylenebisoxy)phenyl]-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitrile, 4-(2H-1,3-Benzodioxol-5-yl)-2-propoxy-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitrile
| Molecular Formula | C23H18N2O3S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 5.41048 |
| Topological Polar Surface Area | 64.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.10382 |
| Heavy Atoms | 29 |
| Complexity | 1153.5903 |
Chemical Identifiers
| CAS Number | 115091-93-5 |
|---|---|
| SMILES | CCCOC1=C(C(=C2CSC3=CC=CC=C3C2=N1)C4=CC5=C(C=C4)OCO5)C#N |
Product Overview
RefChem:305135 (CAS 115091-93-5), with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-2-propoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile.
Chemical Property Profile of RefChem:305135
Property Insights of RefChem:305135
The XLogP value of 5.41048 indicates that RefChem:305135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305135. Following Lipinski's Rule of Five, RefChem:305135 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:305135?
The CAS number of RefChem:305135 is 115091-93-5.
What is the molecular formula of RefChem:305135?
The molecular formula of RefChem:305135 is C23H18N2O3S.
What is the molecular weight of RefChem:305135?
The molecular weight of RefChem:305135 is 402.10 g/mol.
Where can I buy RefChem:305135?
You can request a quote for RefChem:305135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305135?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.