A1911/0080313
TL;DR: A1911/0080313 (CAS 309936-32-1) is a chemical compound with molecular formula C21H18FNO3S2 and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: A1911/0080313, (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, 3-allyl-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-({4-[(2-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5E)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C21H18FNO3S2 |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 4.8005 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.07123 |
| Heavy Atoms | 28 |
| Complexity | 958.41693 |
Chemical Identifiers
| CAS Number | 309936-32-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OCC3=CC=CC=C3F |
Product Overview
A1911/0080313 (CAS 309936-32-1), with molecular formula C21H18FNO3S2 and molecular weight 415.07 g/mol. IUPAC: (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of A1911/0080313
Property Insights of A1911/0080313
The XLogP value of 4.8005 indicates that A1911/0080313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, A1911/0080313 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1911/0080313 has 0 hydrogen bond donor(s) and 5 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 A1911/0080313?
The CAS number of A1911/0080313 is 309936-32-1.
What is the molecular formula of A1911/0080313?
The molecular formula of A1911/0080313 is C21H18FNO3S2.
What is the molecular weight of A1911/0080313?
The molecular weight of A1911/0080313 is 415.07 g/mol.
Where can I buy A1911/0080313?
You can request a quote for A1911/0080313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1911/0080313?
Yes, KEHONG BIO provides custom synthesis services for A1911/0080313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.