胆固醇2,6-二甲基-3-碘苯甲酸酯
TL;DR: 胆固醇2,6-二甲基-3-碘苯甲酸酯 (CAS 124784-15-2) is a chemical compound with molecular formula C36H53IO2 and molecular weight 644.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆固醇2,6-二甲基-3-碘苯甲酸酯
[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate
Also Known As: 2,6-Dibce, Cholesteryl 2,6-dimethyl-3-iodobenzoate, 2,6-Dimethyl-3-iodobenzoate cholesterol ester, Cholest-5-en-3-yl 3-iodo-2,6-dimethylbenzoate, Cholest-5-en-3-ol (3beta)-, 3-iodo-2,6-dimethylbenzoate
| Molecular Formula | C36H53IO2 |
|---|---|
| Molecular Weight | 644.31 g/mol |
| LogP | 12.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 644.309 |
| Heavy Atoms | 39 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 124784-15-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)I)C)C(=O)OC2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C |
| InChIKey | RJPYENJVQWBZAL-IPXOLVQISA-N |
Product Overview
胆固醇2,6-二甲基-3-碘苯甲酸酯 (CAS 124784-15-2), with molecular formula C36H53IO2 and molecular weight 644.31 g/mol. IUPAC: [(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate.
Chemical Property Profile of 胆固醇2,6-二甲基-3-碘苯甲酸酯
Property Insights of 胆固醇2,6-二甲基-3-碘苯甲酸酯
The XLogP value of 12.2 indicates that 胆固醇2,6-二甲基-3-碘苯甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 胆固醇2,6-二甲基-3-碘苯甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆固醇2,6-二甲基-3-碘苯甲酸酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 胆固醇2,6-二甲基-3-碘苯甲酸酯?
The CAS number of 胆固醇2,6-二甲基-3-碘苯甲酸酯 is 124784-15-2.
What is the molecular formula of 胆固醇2,6-二甲基-3-碘苯甲酸酯?
The molecular formula of 胆固醇2,6-二甲基-3-碘苯甲酸酯 is C36H53IO2.
What is the molecular weight of 胆固醇2,6-二甲基-3-碘苯甲酸酯?
The molecular weight of 胆固醇2,6-二甲基-3-碘苯甲酸酯 is 644.31 g/mol.
Where can I buy 胆固醇2,6-二甲基-3-碘苯甲酸酯?
You can request a quote for 胆固醇2,6-二甲基-3-碘苯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆固醇2,6-二甲基-3-碘苯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 胆固醇2,6-二甲基-3-碘苯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.