C18H14N2O5S2
TL;DR: C18H14N2O5S2 (CAS 349541-66-8) is a chemical compound with molecular formula C18H14N2O5S2 and molecular weight 402.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide
Also Known As: BAS 03034449, (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)acrylamide, 3-Benzo[1,3]dioxol-5-yl-N-(6-methanesulfonyl-benzothiazol-2-yl)-acrylamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]prop-2-enamide
| Molecular Formula | C18H14N2O5S2 |
|---|---|
| Molecular Weight | 402.03 g/mol |
| LogP | 3.0804 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.03442 |
| Heavy Atoms | 27 |
| Complexity | 1181.6802 |
Chemical Identifiers
| CAS Number | 349541-66-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
C18H14N2O5S2 (CAS 349541-66-8), with molecular formula C18H14N2O5S2 and molecular weight 402.03 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide.
Chemical Property Profile of C18H14N2O5S2
Property Insights of C18H14N2O5S2
The XLogP value of 3.0804 indicates that C18H14N2O5S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H14N2O5S2. Following Lipinski's Rule of Five, C18H14N2O5S2 has 1 hydrogen bond donor(s) and 7 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 C18H14N2O5S2?
The CAS number of C18H14N2O5S2 is 349541-66-8.
What is the molecular formula of C18H14N2O5S2?
The molecular formula of C18H14N2O5S2 is C18H14N2O5S2.
What is the molecular weight of C18H14N2O5S2?
The molecular weight of C18H14N2O5S2 is 402.03 g/mol.
Where can I buy C18H14N2O5S2?
You can request a quote for C18H14N2O5S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H14N2O5S2?
Yes, KEHONG BIO provides custom synthesis services for C18H14N2O5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.