4-Formyl-2-iodo-6-methoxyphenyl butyrate
TL;DR: 4-Formyl-2-iodo-6-methoxyphenyl butyrate (CAS 831178-80-4) is a chemical compound with molecular formula C12H13IO4 and molecular weight 347.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-iodo-6-methoxyphenyl) butanoate
Also Known As: 4-formyl-2-iodo-6-methoxyphenyl butyrate, (4-formyl-2-iodo-6-methoxyphenyl) butanoate, 4-FORMYL-2-IODO-6-METHOXYPHENYL BUTANOATE
| Molecular Formula | C12H13IO4 |
|---|---|
| Molecular Weight | 347.99 g/mol |
| LogP | 2.8178 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.98587 |
| Heavy Atoms | 17 |
| Complexity | 428.75897 |
Chemical Identifiers
| CAS Number | 831178-80-4 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1I)C=O)OC |
Product Overview
4-Formyl-2-iodo-6-methoxyphenyl butyrate (CAS 831178-80-4), with molecular formula C12H13IO4 and molecular weight 347.99 g/mol. IUPAC: (4-formyl-2-iodo-6-methoxyphenyl) butanoate.
Chemical Property Profile of 4-Formyl-2-iodo-6-methoxyphenyl butyrate
Property Insights of 4-Formyl-2-iodo-6-methoxyphenyl butyrate
The XLogP value of 2.8178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-2-iodo-6-methoxyphenyl butyrate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Formyl-2-iodo-6-methoxyphenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Formyl-2-iodo-6-methoxyphenyl butyrate 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 4-Formyl-2-iodo-6-methoxyphenyl butyrate?
The CAS number of 4-Formyl-2-iodo-6-methoxyphenyl butyrate is 831178-80-4.
What is the molecular formula of 4-Formyl-2-iodo-6-methoxyphenyl butyrate?
The molecular formula of 4-Formyl-2-iodo-6-methoxyphenyl butyrate is C12H13IO4.
What is the molecular weight of 4-Formyl-2-iodo-6-methoxyphenyl butyrate?
The molecular weight of 4-Formyl-2-iodo-6-methoxyphenyl butyrate is 347.99 g/mol.
Where can I buy 4-Formyl-2-iodo-6-methoxyphenyl butyrate?
You can request a quote for 4-Formyl-2-iodo-6-methoxyphenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formyl-2-iodo-6-methoxyphenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-2-iodo-6-methoxyphenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.