RefChem:327176
TL;DR: RefChem:327176 (CAS 67093-13-4) is a chemical compound with molecular formula C15H17I3N2O6 and molecular weight 701.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate
Also Known As: JK 43, B 6590, 3-Acetamido-5-acetamidomethyl-2,4,6-triiodobenzoic acid 2,3-dihydroxypropyl ester, B-6590, (2,3-Dihydroxypropyl) 5-acetamido-3-acetamidomethyl-2,4,6-triiodobenzoate
| Molecular Formula | C15H17I3N2O6 |
|---|---|
| Molecular Weight | 701.82 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 701.8221 |
| Heavy Atoms | 26 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 67093-13-4 |
|---|---|
| SMILES | CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCC(CO)O)I |
| InChIKey | NJAUFVDIJIFKIM-UHFFFAOYSA-N |
Product Overview
RefChem:327176 (CAS 67093-13-4), with molecular formula C15H17I3N2O6 and molecular weight 701.82 g/mol. IUPAC: 2,3-dihydroxypropyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate.
Chemical Property Profile of RefChem:327176
Property Insights of RefChem:327176
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327176. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327176. Following Lipinski's Rule of Five, RefChem:327176 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327176?
The CAS number of RefChem:327176 is 67093-13-4.
What is the molecular formula of RefChem:327176?
The molecular formula of RefChem:327176 is C15H17I3N2O6.
What is the molecular weight of RefChem:327176?
The molecular weight of RefChem:327176 is 701.82 g/mol.
Where can I buy RefChem:327176?
You can request a quote for RefChem:327176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327176?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.