BAS 00551979
TL;DR: BAS 00551979 (CAS 357623-56-4) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-cyclopentylidene-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: BAS 00551979, BIM-0026800.P001, 8-cyclopentylidene-2-(4-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, A1674/0071401, 10-cyclopentylidene-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 357623-56-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C5CCCC5 |
| InChIKey | ZMHXJAAVBPMAPI-UHFFFAOYSA-N |
Product Overview
BAS 00551979 (CAS 357623-56-4), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 10-cyclopentylidene-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of BAS 00551979
Property Insights of BAS 00551979
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00551979. With a topological polar surface area (TPSA) of 46.6 Ų, BAS 00551979 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00551979 has 0 hydrogen bond donor(s) and 3 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 00551979?
The CAS number of BAS 00551979 is 357623-56-4.
What is the molecular formula of BAS 00551979?
The molecular formula of BAS 00551979 is C21H21NO3.
What is the molecular weight of BAS 00551979?
The molecular weight of BAS 00551979 is 335.15 g/mol.
Where can I buy BAS 00551979?
You can request a quote for BAS 00551979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00551979?
Yes, KEHONG BIO provides custom synthesis services for BAS 00551979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.