BAS 01365858
TL;DR: BAS 01365858 (CAS 401815-16-5) is a chemical compound with molecular formula C19H25NO4 and molecular weight 331.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(6,7-dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidene)acetate
Also Known As: BAS 01365858, ethyl (2Z)-2-(6,7-dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidene)acetate, A2042/0085862, ethyl 2-(6,7-dimethoxyspiro[2,3,4-trihydroisoquinoline-3,1'-cyclopentane]ylide ne)acetate, (Z)-ethyl 2-(6',7'-dimethoxy-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-ylidene)acetate
| Molecular Formula | C19H25NO4 |
|---|---|
| Molecular Weight | 331.18 g/mol |
| LogP | 3.0663 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.17834 |
| Heavy Atoms | 24 |
| Complexity | 659.5758 |
Chemical Identifiers
| CAS Number | 401815-16-5 |
|---|---|
| SMILES | CCOC(=O)/C=C\1/C2=CC(=C(C=C2CC3(N1)CCCC3)OC)OC |
Product Overview
BAS 01365858 (CAS 401815-16-5), with molecular formula C19H25NO4 and molecular weight 331.18 g/mol. IUPAC: ethyl (2Z)-2-(6,7-dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidene)acetate.
Chemical Property Profile of BAS 01365858
Property Insights of BAS 01365858
The XLogP value of 3.0663 indicates that BAS 01365858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, BAS 01365858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01365858 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 01365858?
The CAS number of BAS 01365858 is 401815-16-5.
What is the molecular formula of BAS 01365858?
The molecular formula of BAS 01365858 is C19H25NO4.
What is the molecular weight of BAS 01365858?
The molecular weight of BAS 01365858 is 331.18 g/mol.
Where can I buy BAS 01365858?
You can request a quote for BAS 01365858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01365858?
Yes, KEHONG BIO provides custom synthesis services for BAS 01365858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.