BAS 00554397
TL;DR: BAS 00554397 (CAS 339321-57-2) is a chemical compound with molecular formula C19H20FN7 and molecular weight 365.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-N-benzyl-4-N-[(E)-(2-fluorophenyl)methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
Also Known As: BAS 00554397, AH-487/36382058, A1301/0059134, 2-fluorobenzaldehyde [4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazone, 6-N-benzyl-4-N-[(E)-(2-fluorophenyl)methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
| Molecular Formula | C19H20FN7 |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 3.1348 |
| Topological Polar Surface Area | 78.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.17642 |
| Heavy Atoms | 27 |
| Complexity | 912.9415 |
Chemical Identifiers
| CAS Number | 339321-57-2 |
|---|---|
| SMILES | CN(C)C1=NC(=NC(=N1)N/N=C/C2=CC=CC=C2F)NCC3=CC=CC=C3 |
Product Overview
BAS 00554397 (CAS 339321-57-2), with molecular formula C19H20FN7 and molecular weight 365.18 g/mol. IUPAC: 6-N-benzyl-4-N-[(E)-(2-fluorophenyl)methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
Chemical Property Profile of BAS 00554397
Property Insights of BAS 00554397
The XLogP value of 3.1348 indicates that BAS 00554397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00554397. Following Lipinski's Rule of Five, BAS 00554397 has 2 hydrogen bond donor(s) and 7 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 00554397?
The CAS number of BAS 00554397 is 339321-57-2.
What is the molecular formula of BAS 00554397?
The molecular formula of BAS 00554397 is C19H20FN7.
What is the molecular weight of BAS 00554397?
The molecular weight of BAS 00554397 is 365.18 g/mol.
Where can I buy BAS 00554397?
You can request a quote for BAS 00554397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00554397?
Yes, KEHONG BIO provides custom synthesis services for BAS 00554397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.