(4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate
TL;DR: (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate (CAS 31558-53-9) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate
Also Known As: (4-cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate, 4-CYANOPHENYL (3,4-DIMETHOXYPHENYL)METHYL CARBONATE
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 31558-53-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)COC(=O)OC2=CC=C(C=C2)C#N)OC |
| InChIKey | QPPUDSSCJNTVFT-UHFFFAOYSA-N |
Product Overview
(4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate (CAS 31558-53-9), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: (4-cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate.
Chemical Property Profile of (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate
Property Insights of (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate
The XLogP value of 3.2 indicates that (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate. Following Lipinski's Rule of Five, (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate 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 (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
The CAS number of (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate is 31558-53-9.
What is the molecular formula of (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
The molecular formula of (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate is C17H15NO5.
What is the molecular weight of (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
The molecular weight of (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate is 313.10 g/mol.
Where can I buy (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
You can request a quote for (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanophenyl) (3,4-dimethoxyphenyl)methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.