BAS 01052647
TL;DR: BAS 01052647 (CAS 313398-50-4) is a chemical compound with molecular formula C27H25Br2N3O2 and molecular weight 581.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-N-(2,6-dimethylphenyl)-4-oxobutanamide
Also Known As: BAS 01052647, 4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(2,6-dimethylphenyl)-4-oxobutanamide, F0358-0069, A2178/0091502, 4-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-N-(2,6-dimethylphenyl)-4-oxobutanamide
| Molecular Formula | C27H25Br2N3O2 |
|---|---|
| Molecular Weight | 581.03 g/mol |
| LogP | 6.92504 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 581.0314 |
| Heavy Atoms | 34 |
| Complexity | 1217.485 |
Chemical Identifiers
| CAS Number | 313398-50-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br |
Product Overview
BAS 01052647 (CAS 313398-50-4), with molecular formula C27H25Br2N3O2 and molecular weight 581.03 g/mol. IUPAC: 4-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-N-(2,6-dimethylphenyl)-4-oxobutanamide.
Chemical Property Profile of BAS 01052647
Property Insights of BAS 01052647
The XLogP value of 6.92504 indicates that BAS 01052647 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01052647. Following Lipinski's Rule of Five, BAS 01052647 has 1 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 01052647?
The CAS number of BAS 01052647 is 313398-50-4.
What is the molecular formula of BAS 01052647?
The molecular formula of BAS 01052647 is C27H25Br2N3O2.
What is the molecular weight of BAS 01052647?
The molecular weight of BAS 01052647 is 581.03 g/mol.
Where can I buy BAS 01052647?
You can request a quote for BAS 01052647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052647?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.