Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile
TL;DR: Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile (CAS 17175-18-7) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) methyl carbonate
Also Known As: 4-Cyanophenyl methyl carbonate, Methyl 4-cyanophenyl carbonate, (4-cyanophenyl) methyl carbonate, 4-Cyanophenyl methyl carbonate #, Carbonic acid methyl 4-cyanophenyl ester
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 17175-18-7 |
|---|---|
| SMILES | COC(=O)OC1=CC=C(C=C1)C#N |
| InChIKey | GVJIAKWFZGGURS-UHFFFAOYSA-N |
Product Overview
Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile (CAS 17175-18-7), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: (4-cyanophenyl) methyl carbonate.
Chemical Property Profile of Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile
Property Insights of Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile. With a topological polar surface area (TPSA) of 59.3 Ų, Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile has 0 hydrogen bond donor(s) and 4 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 Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile?
The CAS number of Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile is 17175-18-7.
What is the molecular formula of Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile?
The molecular formula of Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile is C9H7NO3.
What is the molecular weight of Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile?
The molecular weight of Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile is 177.04 g/mol.
Where can I buy Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile?
You can request a quote for Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, methyl ester, ester with p-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.