BAS 01689540
TL;DR: BAS 01689540 (CAS 141811-30-5) is a chemical compound with molecular formula C20H18ClN3 and molecular weight 335.11893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile
Also Known As: BAS 01689540, 2-amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile, 2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3- dicarbonitrile, 2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzocyclooctene-1,3-dicarbonitrile, 4-(4-Chlorophenyl)-2-amino-5,6,7,8,9,10-hexahydrobenzocyclooctene-1,3-dicarbonitrile
Technical Specifications
| Molecular Formula | C20H18ClN3 |
| Molecular Weight | 335.11893 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.11893 Da |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
| SMILES | C1CCCC2=C(CC1)C(=C(C(=C2C3=CC=C(C=C3)Cl)C#N)N)C#N |
| InChIKey | YIPMLVDEOJVYIE-UHFFFAOYSA-N |
Chemical Property Profile of BAS 01689540
Property Insights of BAS 01689540
The XLogP value of 5.9 indicates that BAS 01689540 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01689540. Following Lipinski's Rule of Five, BAS 01689540 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 01689540?
The CAS number of BAS 01689540 is 141811-30-5.
What is the molecular formula of BAS 01689540?
The molecular formula of BAS 01689540 is C20H18ClN3.
What is the molecular weight of BAS 01689540?
The molecular weight of BAS 01689540 is 335.11893 g/mol.
Where can I buy BAS 01689540?
You can request a quote for BAS 01689540 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 01689540?
Yes, CoreyChem provides custom synthesis services for BAS 01689540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.