BAS 00550587
TL;DR: BAS 00550587 (CAS 331750-27-7) is a chemical compound with molecular formula C14H13BrN4O2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
Also Known As: BAS 00550587, AB00091348-01, N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine, 6-bromo-1,3-benzodioxole-5-carbaldehyde (4,6-dimethyl-2-pyrimidinyl)hydrazone, [(1E)-2-(6-bromo(2H-benzo[d]1,3-dioxolan-5-yl))-1-azavinyl](4,6-dimethylpyrimi din-2-yl)amine
| Molecular Formula | C14H13BrN4O2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 3.03064 |
| Topological Polar Surface Area | 68.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0222 |
| Heavy Atoms | 21 |
| Complexity | 698.1105 |
Chemical Identifiers
| CAS Number | 331750-27-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N/N=C/C2=CC3=C(C=C2Br)OCO3)C |
Product Overview
BAS 00550587 (CAS 331750-27-7), with molecular formula C14H13BrN4O2 and molecular weight 348.02 g/mol. IUPAC: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.
Chemical Property Profile of BAS 00550587
Property Insights of BAS 00550587
The XLogP value of 3.03064 indicates that BAS 00550587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00550587. Following Lipinski's Rule of Five, BAS 00550587 has 1 hydrogen bond donor(s) and 6 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 00550587?
The CAS number of BAS 00550587 is 331750-27-7.
What is the molecular formula of BAS 00550587?
The molecular formula of BAS 00550587 is C14H13BrN4O2.
What is the molecular weight of BAS 00550587?
The molecular weight of BAS 00550587 is 348.02 g/mol.
Where can I buy BAS 00550587?
You can request a quote for BAS 00550587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00550587?
Yes, KEHONG BIO provides custom synthesis services for BAS 00550587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.