A0443/0020439
TL;DR: A0443/0020439 (CAS 339187-82-5) is a chemical compound with molecular formula C21H21N3OS2 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-2-amino-6-propan-2-yl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Also Known As: A0443/0020439, (8E)-2-amino-6-(propan-2-yl)-4-(thiophen-2-yl)-8-(thiophen-2-ylmethylidene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, (8E)-2-AMINO-6-(PROPAN-2-YL)-4-(THIOPHEN-2-YL)-8-[(THIOPHEN-2-YL)METHYLIDENE]-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE, (8E)-2-amino-6-propan-2-yl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, (E)-2-amino-6-isopropyl-4-(thiophen-2-yl)-8-(thiophen-2-ylmethylene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
| Molecular Formula | C21H21N3OS2 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 4.67898 |
| Topological Polar Surface Area | 62.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1126 |
| Heavy Atoms | 27 |
| Complexity | 959.7439 |
Chemical Identifiers
| CAS Number | 339187-82-5 |
|---|---|
| SMILES | CC(C)N1C/C(=C\C2=CC=CS2)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CS4 |
Product Overview
A0443/0020439 (CAS 339187-82-5), with molecular formula C21H21N3OS2 and molecular weight 395.11 g/mol. IUPAC: (8E)-2-amino-6-propan-2-yl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
Chemical Property Profile of A0443/0020439
Property Insights of A0443/0020439
The XLogP value of 4.67898 indicates that A0443/0020439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.28 Ų falls within the moderate polarity range, balancing permeability and solubility for A0443/0020439. Following Lipinski's Rule of Five, A0443/0020439 has 1 hydrogen bond donor(s) and 6 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 A0443/0020439?
The CAS number of A0443/0020439 is 339187-82-5.
What is the molecular formula of A0443/0020439?
The molecular formula of A0443/0020439 is C21H21N3OS2.
What is the molecular weight of A0443/0020439?
The molecular weight of A0443/0020439 is 395.11 g/mol.
Where can I buy A0443/0020439?
You can request a quote for A0443/0020439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0443/0020439?
Yes, KEHONG BIO provides custom synthesis services for A0443/0020439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.