p-Toluic acid, 3-(bis(2-iodoethyl)amino)-
TL;DR: p-Toluic acid, 3-(bis(2-iodoethyl)amino)- (CAS 54940-99-7) is a chemical compound with molecular formula C12H15I2NO2 and molecular weight 458.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-iodoethyl)amino]-4-methylbenzoic acid
Also Known As: p-Toluic acid, 3-(bis(2-iodoethyl)amino)-, 3-(Bis(2-iodoethyl)amino)-p-toluic acid, 3-[bis(2-iodoethyl)amino]-4-methylbenzoic acid, Benzoic acid, 3-(bis(2-iodoethyl)amino)-4-methyl-, 3-[Bis(2-iodoethyl)amino]-p-toluic acid
| Molecular Formula | C12H15I2NO2 |
|---|---|
| Molecular Weight | 458.92 g/mol |
| LogP | 3.36962 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.91922 |
| Heavy Atoms | 17 |
| Complexity | 390.09207 |
Chemical Identifiers
| CAS Number | 54940-99-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N(CCI)CCI |
Product Overview
p-Toluic acid, 3-(bis(2-iodoethyl)amino)- (CAS 54940-99-7), with molecular formula C12H15I2NO2 and molecular weight 458.92 g/mol. IUPAC: 3-[bis(2-iodoethyl)amino]-4-methylbenzoic acid.
Chemical Property Profile of p-Toluic acid, 3-(bis(2-iodoethyl)amino)-
Property Insights of p-Toluic acid, 3-(bis(2-iodoethyl)amino)-
The XLogP value of 3.36962 indicates that p-Toluic acid, 3-(bis(2-iodoethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, p-Toluic acid, 3-(bis(2-iodoethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluic acid, 3-(bis(2-iodoethyl)amino)- has 1 hydrogen bond donor(s) and 2 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 p-Toluic acid, 3-(bis(2-iodoethyl)amino)-?
The CAS number of p-Toluic acid, 3-(bis(2-iodoethyl)amino)- is 54940-99-7.
What is the molecular formula of p-Toluic acid, 3-(bis(2-iodoethyl)amino)-?
The molecular formula of p-Toluic acid, 3-(bis(2-iodoethyl)amino)- is C12H15I2NO2.
What is the molecular weight of p-Toluic acid, 3-(bis(2-iodoethyl)amino)-?
The molecular weight of p-Toluic acid, 3-(bis(2-iodoethyl)amino)- is 458.92 g/mol.
Where can I buy p-Toluic acid, 3-(bis(2-iodoethyl)amino)-?
You can request a quote for p-Toluic acid, 3-(bis(2-iodoethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluic acid, 3-(bis(2-iodoethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, 3-(bis(2-iodoethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.