BAS 00526397
TL;DR: BAS 00526397 (CAS 383126-47-4) is a chemical compound with molecular formula C25H26N2O6 and molecular weight 450.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: BAS 00526397, 2-isopropyl-5-methylcyclohexyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate, (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate, 2-ISOPROPYL-5-METHYLCYCLOHEXYL 2-(4-NITROPHENYL)-1,3-DIOXOISOINDOLE-5-CARBOXYLATE, 5-methyl-2-(methylethyl)cyclohexyl 2-(4-nitrophenyl)-1,3-dioxobenzo[c]azolidin e-5-carboxylate
| Molecular Formula | C25H26N2O6 |
|---|---|
| Molecular Weight | 450.18 g/mol |
| LogP | 5.013 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.17908 |
| Heavy Atoms | 33 |
| Complexity | 1124.2172 |
Chemical Identifiers
| CAS Number | 383126-47-4 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C(C)C |
Product Overview
BAS 00526397 (CAS 383126-47-4), with molecular formula C25H26N2O6 and molecular weight 450.18 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of BAS 00526397
Property Insights of BAS 00526397
The XLogP value of 5.013 indicates that BAS 00526397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00526397. Following Lipinski's Rule of Five, BAS 00526397 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00526397?
The CAS number of BAS 00526397 is 383126-47-4.
What is the molecular formula of BAS 00526397?
The molecular formula of BAS 00526397 is C25H26N2O6.
What is the molecular weight of BAS 00526397?
The molecular weight of BAS 00526397 is 450.18 g/mol.
Where can I buy BAS 00526397?
You can request a quote for BAS 00526397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00526397?
Yes, KEHONG BIO provides custom synthesis services for BAS 00526397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.