BAS 00108253
TL;DR: BAS 00108253 (CAS 86938-60-5) is a chemical compound with molecular formula C25H31N3O2 and molecular weight 405.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3,5-di(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00108253, 4-[[3,5-di(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-{[3,5-bis(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-{[3,5-bis(methylpropyl)-4-oxocyclohexa-2,5-dienylidene]azamethyl}-2,3-dimeth yl-1-phenyl-3-pyrazolin-5-one, 4-{[3,5-Di(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C25H31N3O2 |
|---|---|
| Molecular Weight | 405.24 g/mol |
| LogP | 5.08462 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.24164 |
| Heavy Atoms | 30 |
| Complexity | 1065.4038 |
Chemical Identifiers
| CAS Number | 86938-60-5 |
|---|---|
| SMILES | CCC(C)C1=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=C(C1=O)C(C)CC |
Product Overview
BAS 00108253 (CAS 86938-60-5), with molecular formula C25H31N3O2 and molecular weight 405.24 g/mol. IUPAC: 4-[[3,5-di(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00108253
Property Insights of BAS 00108253
The XLogP value of 5.08462 indicates that BAS 00108253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, BAS 00108253 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00108253 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00108253?
The CAS number of BAS 00108253 is 86938-60-5.
What is the molecular formula of BAS 00108253?
The molecular formula of BAS 00108253 is C25H31N3O2.
What is the molecular weight of BAS 00108253?
The molecular weight of BAS 00108253 is 405.24 g/mol.
Where can I buy BAS 00108253?
You can request a quote for BAS 00108253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108253?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.