BAS 04358880
TL;DR: BAS 04358880 (CAS 461429-75-4) is a chemical compound with molecular formula C22H21NO5 and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile
Also Known As: BAS 04358880, 2-(4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenoxy)acetonitrile, [4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile, 2-[4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile, 2-(4-{4-ETHOXY-1,3-DIMETHYL-8-OXOCYCLOHEPTA[C]FURAN-6-YL}-2-METHOXYPHENOXY)ACETONITRILE
| Molecular Formula | C22H21NO5 |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 4.38652 |
| Topological Polar Surface Area | 81.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.14197 |
| Heavy Atoms | 28 |
| Complexity | 1124.446 |
Chemical Identifiers
| CAS Number | 461429-75-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=O)C2=C(OC(=C12)C)C)C3=CC(=C(C=C3)OCC#N)OC |
Product Overview
BAS 04358880 (CAS 461429-75-4), with molecular formula C22H21NO5 and molecular weight 379.14 g/mol. IUPAC: 2-[4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile.
Chemical Property Profile of BAS 04358880
Property Insights of BAS 04358880
The XLogP value of 4.38652 indicates that BAS 04358880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04358880. Following Lipinski's Rule of Five, BAS 04358880 has 0 hydrogen bond donor(s) and 6 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 04358880?
The CAS number of BAS 04358880 is 461429-75-4.
What is the molecular formula of BAS 04358880?
The molecular formula of BAS 04358880 is C22H21NO5.
What is the molecular weight of BAS 04358880?
The molecular weight of BAS 04358880 is 379.14 g/mol.
Where can I buy BAS 04358880?
You can request a quote for BAS 04358880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04358880?
Yes, KEHONG BIO provides custom synthesis services for BAS 04358880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.