Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-
TL;DR: Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- (CAS 75382-91-1) is a chemical compound with molecular formula C14H18Cl2INO2 and molecular weight 432.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[bis(2-chloroethyl)amino]-2-(131I)iodophenyl]butanoic acid
Also Known As: Sid 3742998, Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-, 4-[4-[bis(2-chloroethyl)amino]-2-iodanylphenyl]butanoic acid, 4-{4-[Bis(2-chloroethyl)amino]-2-(~131~I)iodophenyl}butanoic acid
| Molecular Formula | C14H18Cl2INO2 |
|---|---|
| Molecular Weight | 432.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.9776 |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 75382-91-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1N(CCCl)CCCl)[131I])CCCC(=O)O |
| InChIKey | ZGBCBLIGQZRBOC-UOJYAKQPSA-N |
Product Overview
Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- (CAS 75382-91-1), with molecular formula C14H18Cl2INO2 and molecular weight 432.98 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]-2-(131I)iodophenyl]butanoic acid.
Chemical Property Profile of Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-
Property Insights of Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-
The XLogP value of 4.0 indicates that Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- has 1 hydrogen bond donor(s) and 3 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 Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-?
The CAS number of Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- is 75382-91-1.
What is the molecular formula of Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-?
The molecular formula of Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- is C14H18Cl2INO2.
What is the molecular weight of Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-?
The molecular weight of Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- is 432.98 g/mol.
Where can I buy Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-?
You can request a quote for Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-(iodo-131I)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.