A0129/0005686
TL;DR: A0129/0005686 (CAS 299200-81-0) is a chemical compound with molecular formula C12H9N5O3S and molecular weight 303.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-4-(5-nitrothiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: A0129/0005686, 6-amino-3-methyl-4-(5-nitrothiophen-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-4-(5-nitro-2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide, 6-amino-3-methyl-4-(5-nitro-2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-4-(5-nitrothiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C12H9N5O3S |
|---|---|
| Molecular Weight | 303.04 g/mol |
| LogP | 1.906 |
| Topological Polar Surface Area | 130.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.0426 |
| Heavy Atoms | 21 |
| Complexity | 813.2148 |
Chemical Identifiers
| CAS Number | 299200-81-0 |
|---|---|
| SMILES | CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
A0129/0005686 (CAS 299200-81-0), with molecular formula C12H9N5O3S and molecular weight 303.04 g/mol. IUPAC: 6-amino-3-methyl-4-(5-nitrothiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of A0129/0005686
Property Insights of A0129/0005686
The XLogP value of 1.906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0129/0005686. The TPSA of 130.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A0129/0005686. Following Lipinski's Rule of Five, A0129/0005686 has 2 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 A0129/0005686?
The CAS number of A0129/0005686 is 299200-81-0.
What is the molecular formula of A0129/0005686?
The molecular formula of A0129/0005686 is C12H9N5O3S.
What is the molecular weight of A0129/0005686?
The molecular weight of A0129/0005686 is 303.04 g/mol.
Where can I buy A0129/0005686?
You can request a quote for A0129/0005686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0129/0005686?
Yes, KEHONG BIO provides custom synthesis services for A0129/0005686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.