BAS 00551889
TL;DR: BAS 00551889 (CAS 403695-39-6) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)benzoate
Also Known As: BAS 00551889, BIM-0019703.P001, methyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)benzoate, methyl 4-((3aR,4R,7S,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropan]-2(3H)-yl)benzoate, Methyl 4-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)benzoate
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.1748 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 771.16064 |
Chemical Identifiers
| CAS Number | 403695-39-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5 |
Product Overview
BAS 00551889 (CAS 403695-39-6), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: methyl 4-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)benzoate.
Chemical Property Profile of BAS 00551889
Property Insights of BAS 00551889
The XLogP value of 2.1748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00551889. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00551889. Following Lipinski's Rule of Five, BAS 00551889 has 0 hydrogen bond donor(s) and 4 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 00551889?
The CAS number of BAS 00551889 is 403695-39-6.
What is the molecular formula of BAS 00551889?
The molecular formula of BAS 00551889 is C19H17NO4.
What is the molecular weight of BAS 00551889?
The molecular weight of BAS 00551889 is 323.12 g/mol.
Where can I buy BAS 00551889?
You can request a quote for BAS 00551889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00551889?
Yes, KEHONG BIO provides custom synthesis services for BAS 00551889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.