Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-
TL;DR: Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- (CAS 69382-14-5) is a chemical compound with molecular formula C12H12I3NO3 and molecular weight 598.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-formamido-2,4,6-triiodophenyl)methyl]butanoic acid
Also Known As: N-Formyliopanoic acid, alpha-Ethyl-3-(formamido)-2,4,6-triiodohydrocinnamic acid, HYDROCINNAMIC ACID, alpha-ETHYL-3-(FORMAMIDO)-2,4,6-TRIIODO-, 2-[(3-formamido-2,4,6-triiodophenyl)methyl]butanoic acid, 2-Ethyl-3-(3-formylamino-2,4,6-triiodophenyl)propanoic acid
| Molecular Formula | C12H12I3NO3 |
|---|---|
| Molecular Weight | 598.80 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 598.7951 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 69382-14-5 |
|---|---|
| SMILES | CCC(CC1=C(C(=C(C=C1I)I)NC=O)I)C(=O)O |
| InChIKey | TVEIMBJZPFOAOO-UHFFFAOYSA-N |
Product Overview
Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- (CAS 69382-14-5), with molecular formula C12H12I3NO3 and molecular weight 598.80 g/mol. IUPAC: 2-[(3-formamido-2,4,6-triiodophenyl)methyl]butanoic acid.
Chemical Property Profile of Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-
Property Insights of Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-
The XLogP value of 3.7 indicates that Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-. Following Lipinski's Rule of Five, Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-?
The CAS number of Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- is 69382-14-5.
What is the molecular formula of Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-?
The molecular formula of Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- is C12H12I3NO3.
What is the molecular weight of Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-?
The molecular weight of Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- is 598.80 g/mol.
Where can I buy Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-?
You can request a quote for Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo-?
Yes, KEHONG BIO provides custom synthesis services for Hydrocinnamic acid, alpha-ethyl-3-(formamido)-2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.