BAS 00335676
TL;DR: BAS 00335676 (CAS 339059-58-4) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-(4-nitrophenyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
Also Known As: BAS 00335676, AJ-292/07025058, 6,7-dimethoxy-1-(4-nitrophenyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane], A0355/0016375, 6',7'-dimethoxy-1'-(4-nitrophenyl)-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 4.1164 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 857.23047 |
Chemical Identifiers
| CAS Number | 339059-58-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(NCC23CCCC3)C4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
BAS 00335676 (CAS 339059-58-4), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: 6,7-dimethoxy-1-(4-nitrophenyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane].
Chemical Property Profile of BAS 00335676
Property Insights of BAS 00335676
The XLogP value of 4.1164 indicates that BAS 00335676 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00335676. Following Lipinski's Rule of Five, BAS 00335676 has 1 hydrogen bond donor(s) and 5 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 00335676?
The CAS number of BAS 00335676 is 339059-58-4.
What is the molecular formula of BAS 00335676?
The molecular formula of BAS 00335676 is C21H24N2O4.
What is the molecular weight of BAS 00335676?
The molecular weight of BAS 00335676 is 368.17 g/mol.
Where can I buy BAS 00335676?
You can request a quote for BAS 00335676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00335676?
Yes, KEHONG BIO provides custom synthesis services for BAS 00335676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.