A0129/0005665
TL;DR: A0129/0005665 (CAS 299200-74-1) is a chemical compound with molecular formula C17H9N3O5S and molecular weight 367.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
Also Known As: A0129/0005665, 2-AMINO-4-(5-NITRO-2-THIENYL)-5-OXO-4H,5H-PYRANO[3,2-C]CHROMEN-3-YL CYANIDE, 2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile, 2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile, 2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
| Molecular Formula | C17H9N3O5S |
|---|---|
| Molecular Weight | 367.03 g/mol |
| LogP | 2.98088 |
| Topological Polar Surface Area | 132.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.0263 |
| Heavy Atoms | 26 |
| Complexity | 1201.0641 |
Chemical Identifiers
| CAS Number | 299200-74-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)O2 |
Product Overview
A0129/0005665 (CAS 299200-74-1), with molecular formula C17H9N3O5S and molecular weight 367.03 g/mol. IUPAC: 2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.
Chemical Property Profile of A0129/0005665
Property Insights of A0129/0005665
The XLogP value of 2.98088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0129/0005665. The TPSA of 132.39 Ų falls within the moderate polarity range, balancing permeability and solubility for A0129/0005665. Following Lipinski's Rule of Five, A0129/0005665 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 A0129/0005665?
The CAS number of A0129/0005665 is 299200-74-1.
What is the molecular formula of A0129/0005665?
The molecular formula of A0129/0005665 is C17H9N3O5S.
What is the molecular weight of A0129/0005665?
The molecular weight of A0129/0005665 is 367.03 g/mol.
Where can I buy A0129/0005665?
You can request a quote for A0129/0005665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0129/0005665?
Yes, KEHONG BIO provides custom synthesis services for A0129/0005665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.