BAS 00727231
TL;DR: BAS 00727231 (CAS 331979-63-6) is a chemical compound with molecular formula C28H23ClN4O2 and molecular weight 482.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Also Known As: BAS 00727231, (9-Oxo-9H-acridin-10-yl)-acetic acid [1-(4-chloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-hydrazide, (E)-N'-((1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(9-oxoacridin-10(9H)-yl)acetohydrazide, N'-{(E)-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(9-oxoacridin-10(9H)-yl)acetohydrazide, N-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
| Molecular Formula | C28H23ClN4O2 |
|---|---|
| Molecular Weight | 482.15 g/mol |
| LogP | 5.36594 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.15094 |
| Heavy Atoms | 35 |
| Complexity | 1603.0894 |
Chemical Identifiers
| CAS Number | 331979-63-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=N/NC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53 |
Product Overview
BAS 00727231 (CAS 331979-63-6), with molecular formula C28H23ClN4O2 and molecular weight 482.15 g/mol. IUPAC: N-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
Chemical Property Profile of BAS 00727231
Property Insights of BAS 00727231
The XLogP value of 5.36594 indicates that BAS 00727231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00727231. Following Lipinski's Rule of Five, BAS 00727231 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00727231?
The CAS number of BAS 00727231 is 331979-63-6.
What is the molecular formula of BAS 00727231?
The molecular formula of BAS 00727231 is C28H23ClN4O2.
What is the molecular weight of BAS 00727231?
The molecular weight of BAS 00727231 is 482.15 g/mol.
Where can I buy BAS 00727231?
You can request a quote for BAS 00727231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00727231?
Yes, KEHONG BIO provides custom synthesis services for BAS 00727231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.