BAS 00552040
TL;DR: BAS 00552040 (CAS 5627-65-6) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)pyridine-4-carboxamide
Also Known As: BAS 00552040, N-(3,5-Dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)pyridine-4-carboxamide, N-(3',5'-dioxo-4'-azaspiro[cyclopropane-1,10'-tricyclo[5.2.1.0~2,6~]decane]-8'-en-4'-yl)isonicotinamide, N-(1',3'-Dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)pyridine-4-carboxamide, Cambridge id 5627656
| Molecular Formula | C17H15N3O3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 0.9236 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.11133 |
| Heavy Atoms | 23 |
| Complexity | 734.5481 |
Chemical Identifiers
| CAS Number | 5627-65-6 |
|---|---|
| SMILES | C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=NC=C5 |
Product Overview
BAS 00552040 (CAS 5627-65-6), with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol. IUPAC: N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)pyridine-4-carboxamide.
Chemical Property Profile of BAS 00552040
Property Insights of BAS 00552040
The XLogP value of 0.9236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00552040. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00552040. Following Lipinski's Rule of Five, BAS 00552040 has 1 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 00552040?
The CAS number of BAS 00552040 is 5627-65-6.
What is the molecular formula of BAS 00552040?
The molecular formula of BAS 00552040 is C17H15N3O3.
What is the molecular weight of BAS 00552040?
The molecular weight of BAS 00552040 is 309.11 g/mol.
Where can I buy BAS 00552040?
You can request a quote for BAS 00552040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552040?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.