BAS 00338642
TL;DR: BAS 00338642 (CAS 1477482-86-2) is a chemical compound with molecular formula C14H13N5O3 and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-nitrophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
Also Known As: BAS 00338642, (E)-N'-(4-nitrobenzylidene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide, 1,4,5,6-4H-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID (4-NITRO-BENZYLIDENE)-HYDRAZIDE, N'-[(E)-(4-nitrophenyl)methylidene]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide, N-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3 -ylcarboxamide
| Molecular Formula | C14H13N5O3 |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 1.5705 |
| Topological Polar Surface Area | 113.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.10184 |
| Heavy Atoms | 22 |
| Complexity | 748.33887 |
Chemical Identifiers
| CAS Number | 1477482-86-2 |
|---|---|
| SMILES | C1CC2=C(C1)NN=C2C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00338642 (CAS 1477482-86-2), with molecular formula C14H13N5O3 and molecular weight 299.10 g/mol. IUPAC: N-[(E)-(4-nitrophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
Chemical Property Profile of BAS 00338642
Property Insights of BAS 00338642
The XLogP value of 1.5705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00338642. The TPSA of 113.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00338642. Following Lipinski's Rule of Five, BAS 00338642 has 2 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 BAS 00338642?
The CAS number of BAS 00338642 is 1477482-86-2.
What is the molecular formula of BAS 00338642?
The molecular formula of BAS 00338642 is C14H13N5O3.
What is the molecular weight of BAS 00338642?
The molecular weight of BAS 00338642 is 299.10 g/mol.
Where can I buy BAS 00338642?
You can request a quote for BAS 00338642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00338642?
Yes, KEHONG BIO provides custom synthesis services for BAS 00338642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.