RefChem:307038
TL;DR: RefChem:307038 (CAS 81000-13-7) is a chemical compound with molecular formula C14H11N5O3 and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: 6-amino-3-methyl-4-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-4-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-4-(3-nitrophenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile, 6-amino-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, J2.846.930F
| Molecular Formula | C14H11N5O3 |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 1.8445 |
| Topological Polar Surface Area | 130.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.08618 |
| Heavy Atoms | 22 |
| Complexity | 846.40344 |
Chemical Identifiers
| CAS Number | 81000-13-7 |
|---|---|
| SMILES | CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
RefChem:307038 (CAS 81000-13-7), with molecular formula C14H11N5O3 and molecular weight 297.09 g/mol. IUPAC: 6-amino-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of RefChem:307038
Property Insights of RefChem:307038
The XLogP value of 1.8445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:307038. The TPSA of 130.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:307038. Following Lipinski's Rule of Five, RefChem:307038 has 2 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 RefChem:307038?
The CAS number of RefChem:307038 is 81000-13-7.
What is the molecular formula of RefChem:307038?
The molecular formula of RefChem:307038 is C14H11N5O3.
What is the molecular weight of RefChem:307038?
The molecular weight of RefChem:307038 is 297.09 g/mol.
Where can I buy RefChem:307038?
You can request a quote for RefChem:307038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:307038?
Yes, KEHONG BIO provides custom synthesis services for RefChem:307038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.