2-(3-氨基-2,4,6-三碘苄基)己二酸
TL;DR: 2-(3-氨基-2,4,6-三碘苄基)己二酸 (CAS 13072-73-6) is a chemical compound with molecular formula C13H14I3NO4 and molecular weight 628.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-氨基-2,4,6-三碘苄基)己二酸
2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid
Also Known As: N-adamantanylaminoamide, 2-(3-Amino-2,4,6-triiodobenzyl)adipic acid, Acido 2-(3-amino-2,4,6-triiodobenzil)adipico, 2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid, Hexanedioic acid, 2-(3-amino-2,4,6-triiodobenzyl)-
| Molecular Formula | C13H14I3NO4 |
|---|---|
| Molecular Weight | 628.81 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 628.8057 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 13072-73-6 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)N)I)CC(CCCC(=O)O)C(=O)O)I |
| InChIKey | NCIDMBOLXVEYDB-UHFFFAOYSA-N |
Product Overview
2-(3-氨基-2,4,6-三碘苄基)己二酸 (CAS 13072-73-6), with molecular formula C13H14I3NO4 and molecular weight 628.81 g/mol. IUPAC: 2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid.
Chemical Property Profile of 2-(3-氨基-2,4,6-三碘苄基)己二酸
Property Insights of 2-(3-氨基-2,4,6-三碘苄基)己二酸
The XLogP value of 3.2 indicates that 2-(3-氨基-2,4,6-三碘苄基)己二酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-氨基-2,4,6-三碘苄基)己二酸. Following Lipinski's Rule of Five, 2-(3-氨基-2,4,6-三碘苄基)己二酸 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-氨基-2,4,6-三碘苄基)己二酸?
The CAS number of 2-(3-氨基-2,4,6-三碘苄基)己二酸 is 13072-73-6.
What is the molecular formula of 2-(3-氨基-2,4,6-三碘苄基)己二酸?
The molecular formula of 2-(3-氨基-2,4,6-三碘苄基)己二酸 is C13H14I3NO4.
What is the molecular weight of 2-(3-氨基-2,4,6-三碘苄基)己二酸?
The molecular weight of 2-(3-氨基-2,4,6-三碘苄基)己二酸 is 628.81 g/mol.
Where can I buy 2-(3-氨基-2,4,6-三碘苄基)己二酸?
You can request a quote for 2-(3-氨基-2,4,6-三碘苄基)己二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-氨基-2,4,6-三碘苄基)己二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-氨基-2,4,6-三碘苄基)己二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.