2-氯-3,5-二碘苯甲酸
TL;DR: 2-氯-3,5-二碘苯甲酸 (CAS 15396-36-8) is a chemical compound with molecular formula C7H3ClI2O2 and molecular weight 407.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-3,5-二碘苯甲酸
2-chloro-3,5-diiodobenzoic acid
Also Known As: 2-Chloro-3,5-diiodobenzoic acid, Empagliflozin impurity 180, 2-Chloro-3,5-diiodo-benzoic acid, Benzoic acid, 2-chloro-3,5-diiodo-, 239-416-4
| Molecular Formula | C7H3ClI2O2 |
|---|---|
| Molecular Weight | 407.79 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.7911 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 15396-36-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)Cl)I)I |
| InChIKey | ZNJCYNGNDYEMAA-UHFFFAOYSA-N |
Product Overview
2-氯-3,5-二碘苯甲酸 (CAS 15396-36-8), with molecular formula C7H3ClI2O2 and molecular weight 407.79 g/mol. IUPAC: 2-chloro-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-氯-3,5-二碘苯甲酸
Property Insights of 2-氯-3,5-二碘苯甲酸
The XLogP value of 5.0 indicates that 2-氯-3,5-二碘苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-氯-3,5-二碘苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-3,5-二碘苯甲酸 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 2-氯-3,5-二碘苯甲酸?
The CAS number of 2-氯-3,5-二碘苯甲酸 is 15396-36-8.
What is the molecular formula of 2-氯-3,5-二碘苯甲酸?
The molecular formula of 2-氯-3,5-二碘苯甲酸 is C7H3ClI2O2.
What is the molecular weight of 2-氯-3,5-二碘苯甲酸?
The molecular weight of 2-氯-3,5-二碘苯甲酸 is 407.79 g/mol.
Where can I buy 2-氯-3,5-二碘苯甲酸?
You can request a quote for 2-氯-3,5-二碘苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-3,5-二碘苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-3,5-二碘苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.