BAS 01245054
TL;DR: BAS 01245054 (CAS 6616-83-7) is a chemical compound with molecular formula C29H27N3O7 and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BAS 01245054, 1-(4-tert-butylphenyl)-5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione, 5-{[4-(BENZYLOXY)-5-METHOXY-2-NITROPHENYL]METHYLIDENE}-1-(4-TERT-BUTYLPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE
| Molecular Formula | C29H27N3O7 |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 5.1463 |
| Topological Polar Surface Area | 128.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.1849 |
| Heavy Atoms | 39 |
| Complexity | 1473.211 |
Chemical Identifiers
| CAS Number | 6616-83-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3[N+](=O)[O-])OCC4=CC=CC=C4)OC)C(=O)NC2=O |
Product Overview
BAS 01245054 (CAS 6616-83-7), with molecular formula C29H27N3O7 and molecular weight 529.18 g/mol. IUPAC: 1-(4-tert-butylphenyl)-5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BAS 01245054
Property Insights of BAS 01245054
The XLogP value of 5.1463 indicates that BAS 01245054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01245054. Following Lipinski's Rule of Five, BAS 01245054 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01245054?
The CAS number of BAS 01245054 is 6616-83-7.
What is the molecular formula of BAS 01245054?
The molecular formula of BAS 01245054 is C29H27N3O7.
What is the molecular weight of BAS 01245054?
The molecular weight of BAS 01245054 is 529.18 g/mol.
Where can I buy BAS 01245054?
You can request a quote for BAS 01245054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01245054?
Yes, KEHONG BIO provides custom synthesis services for BAS 01245054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.