(4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate
TL;DR: (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate (CAS 31558-52-8) is a chemical compound with molecular formula C16H15ClO5 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate
Also Known As: (4-chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate, 4-CHLOROPHENYL (3,4-DIMETHOXYPHENYL)METHYL CARBONATE
| Molecular Formula | C16H15ClO5 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.0608 |
| Heavy Atoms | 22 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 31558-52-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)COC(=O)OC2=CC=C(C=C2)Cl)OC |
| InChIKey | OORGURYZZCLCDW-UHFFFAOYSA-N |
Product Overview
(4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate (CAS 31558-52-8), with molecular formula C16H15ClO5 and molecular weight 322.06 g/mol. IUPAC: (4-chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate.
Chemical Property Profile of (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate
Property Insights of (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate
The XLogP value of 4.1 indicates that (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate has 0 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 (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
The CAS number of (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate is 31558-52-8.
What is the molecular formula of (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
The molecular formula of (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate is C16H15ClO5.
What is the molecular weight of (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
The molecular weight of (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate is 322.06 g/mol.
Where can I buy (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
You can request a quote for (4-Chlorophenyl) (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-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl) (3,4-dimethoxyphenyl)methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.