BAS 00389971
TL;DR: BAS 00389971 (CAS 331418-83-8) is a chemical compound with molecular formula C21H28N4O and molecular weight 352.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(4-hexylphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
Also Known As: BAS 00389971, N'-[1-(4-hexylphenyl)ethylidene]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide, N-[(E)-1-(4-hexylphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
| Molecular Formula | C21H28N4O |
|---|---|
| Molecular Weight | 352.23 g/mol |
| LogP | 4.1752 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.22632 |
| Heavy Atoms | 26 |
| Complexity | 773.8088 |
Chemical Identifiers
| CAS Number | 331418-83-8 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)/C(=N/NC(=O)C2=NNC3=C2CCC3)/C |
Product Overview
BAS 00389971 (CAS 331418-83-8), with molecular formula C21H28N4O and molecular weight 352.23 g/mol. IUPAC: N-[(E)-1-(4-hexylphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
Chemical Property Profile of BAS 00389971
Property Insights of BAS 00389971
The XLogP value of 4.1752 indicates that BAS 00389971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00389971. Following Lipinski's Rule of Five, BAS 00389971 has 2 hydrogen bond donor(s) and 3 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 00389971?
The CAS number of BAS 00389971 is 331418-83-8.
What is the molecular formula of BAS 00389971?
The molecular formula of BAS 00389971 is C21H28N4O.
What is the molecular weight of BAS 00389971?
The molecular weight of BAS 00389971 is 352.23 g/mol.
Where can I buy BAS 00389971?
You can request a quote for BAS 00389971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00389971?
Yes, KEHONG BIO provides custom synthesis services for BAS 00389971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.