豆甾烷醇
TL;DR: 豆甾烷醇 (CAS 83-45-4) is a chemical compound with molecular formula C18H21I3N2O5 and molecular weight 725.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
豆甾烷醇
2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate
Also Known As: TABAC, TABC, 2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate, 2,4,6-Triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester, 2-[(cyclohexylcarbamoyl)oxy]ethyl 3-acetamido-2,4,6-triiodobenzoate
| Molecular Formula | C18H21I3N2O5 |
|---|---|
| Molecular Weight | 725.86 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 725.8585 |
| Heavy Atoms | 28 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 83-45-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)C(=O)OCCOC(=O)NC2CCCCC2)I)I |
| InChIKey | WNUUWQUNTSGWGN-UHFFFAOYSA-N |
Product Overview
豆甾烷醇 (CAS 83-45-4), with molecular formula C18H21I3N2O5 and molecular weight 725.86 g/mol. IUPAC: 2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate.
Chemical Property Profile of 豆甾烷醇
Property Insights of 豆甾烷醇
The XLogP value of 4.4 indicates that 豆甾烷醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 豆甾烷醇. Following Lipinski's Rule of Five, 豆甾烷醇 has 2 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 豆甾烷醇?
The CAS number of 豆甾烷醇 is 83-45-4.
What is the molecular formula of 豆甾烷醇?
The molecular formula of 豆甾烷醇 is C18H21I3N2O5.
What is the molecular weight of 豆甾烷醇?
The molecular weight of 豆甾烷醇 is 725.86 g/mol.
Where can I buy 豆甾烷醇?
You can request a quote for 豆甾烷醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 豆甾烷醇?
Yes, KEHONG BIO provides custom synthesis services for 豆甾烷醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.