BAS 00336289
TL;DR: BAS 00336289 (CAS 312269-95-7) is a chemical compound with molecular formula C22H23ClN8O5 and molecular weight 514.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
Also Known As: BAS 00336289, A1100/0051702, 2-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-4,6-di(morpholin-4-yl)-1,3,5-triazine, N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine, 2-[(2E)-2-{[5-(2-CHLORO-4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}HYDRAZIN-1-YL]-4,6-BIS(MORPHOLIN-4-YL)-1,3,5-TRIAZINE
| Molecular Formula | C22H23ClN8O5 |
|---|---|
| Molecular Weight | 514.15 g/mol |
| LogP | 2.8124 |
| Topological Polar Surface Area | 144.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.148 |
| Heavy Atoms | 36 |
| Complexity | 1220.7355 |
Chemical Identifiers
| CAS Number | 312269-95-7 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N5CCOCC5 |
Product Overview
BAS 00336289 (CAS 312269-95-7), with molecular formula C22H23ClN8O5 and molecular weight 514.15 g/mol. IUPAC: N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
Chemical Property Profile of BAS 00336289
Property Insights of BAS 00336289
The XLogP value of 2.8124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00336289. The TPSA of 144.28 Ų indicates high polarity, suggesting BAS 00336289 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00336289 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00336289?
The CAS number of BAS 00336289 is 312269-95-7.
What is the molecular formula of BAS 00336289?
The molecular formula of BAS 00336289 is C22H23ClN8O5.
What is the molecular weight of BAS 00336289?
The molecular weight of BAS 00336289 is 514.15 g/mol.
Where can I buy BAS 00336289?
You can request a quote for BAS 00336289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00336289?
Yes, KEHONG BIO provides custom synthesis services for BAS 00336289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.