D 890
TL;DR: D 890 (CAS 876-95-9) is a chemical compound with molecular formula C29H43N2O5+ and molecular weight 499.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium
Also Known As: D 890, D-890, [4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium, benzenebutanaminium,, A-cyano-n-(2-(3,4-dimethoxyphenyl)ethyl)-3,4,5-trimethoxy-n,n-dimethyl-
| Molecular Formula | C29H43N2O5+ |
|---|---|
| Molecular Weight | 499.32 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 499.3172 |
| Heavy Atoms | 36 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 876-95-9 |
|---|---|
| SMILES | CC(C)C(CCC[N+](C)(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | IFTVVUGBOQTQJH-UHFFFAOYSA-N |
Product Overview
D 890 (CAS 876-95-9), with molecular formula C29H43N2O5+ and molecular weight 499.32 g/mol. IUPAC: [4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium.
Chemical Property Profile of D 890
Property Insights of D 890
The XLogP value of 3.8 indicates that D 890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for D 890. Following Lipinski's Rule of Five, D 890 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 D 890?
The CAS number of D 890 is 876-95-9.
What is the molecular formula of D 890?
The molecular formula of D 890 is C29H43N2O5+.
What is the molecular weight of D 890?
The molecular weight of D 890 is 499.32 g/mol.
Where can I buy D 890?
You can request a quote for D 890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D 890?
Yes, KEHONG BIO provides custom synthesis services for D 890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.