BAS 00125708
TL;DR: BAS 00125708 (CAS 5338-78-3) is a chemical compound with molecular formula C27H25BrN4O and molecular weight 500.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-N-[(E)-(4-butoxyphenyl)methylideneamino]-6-phenylpyrimidin-4-amine
Also Known As: BAS 00125708, 4-butoxybenzaldehyde [2-(4-bromophenyl)-6-phenyl-4-pyrimidinyl]hydrazone, 2-(4-Bromophenyl)-4-[(2E)-2-(4-butoxybenzylidene)hydrazino]-6-phenylpyrimidine, 2-(4-bromophenyl)-N-[(E)-(4-butoxyphenyl)methylideneamino]-6-phenylpyrimidin-4-amine
| Molecular Formula | C27H25BrN4O |
|---|---|
| Molecular Weight | 500.12 g/mol |
| LogP | 7.198 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.12115 |
| Heavy Atoms | 33 |
| Complexity | 1193.2365 |
Chemical Identifiers
| CAS Number | 5338-78-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=N/NC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
BAS 00125708 (CAS 5338-78-3), with molecular formula C27H25BrN4O and molecular weight 500.12 g/mol. IUPAC: 2-(4-bromophenyl)-N-[(E)-(4-butoxyphenyl)methylideneamino]-6-phenylpyrimidin-4-amine.
Chemical Property Profile of BAS 00125708
Property Insights of BAS 00125708
The XLogP value of 7.198 indicates that BAS 00125708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, BAS 00125708 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00125708 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00125708?
The CAS number of BAS 00125708 is 5338-78-3.
What is the molecular formula of BAS 00125708?
The molecular formula of BAS 00125708 is C27H25BrN4O.
What is the molecular weight of BAS 00125708?
The molecular weight of BAS 00125708 is 500.12 g/mol.
Where can I buy BAS 00125708?
You can request a quote for BAS 00125708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00125708?
Yes, KEHONG BIO provides custom synthesis services for BAS 00125708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.