Pregnenolone 2,6-dimethyl-3-iodobenzoate
TL;DR: Pregnenolone 2,6-dimethyl-3-iodobenzoate (CAS 124784-16-3) is a chemical compound with molecular formula C30H39IO3 and molecular weight 574.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-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: P-2,6-Dib, Pregnenolone 2,6-dimethyl-3-iodobenzoate, 20-Oxopregn-5-en-3-yl 3-iodo-2,6-dimethylbenzoate, [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate, 20-Oxopregn-5-en-3beta-yl 3-iodo-2,6-dimethylbenzoate
| Molecular Formula | C30H39IO3 |
|---|---|
| Molecular Weight | 574.19 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 574.1944 |
| Heavy Atoms | 34 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 124784-16-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)I)C)C(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5C(=O)C)C)C |
| InChIKey | MIIBLUAAEAEFJK-KWIQMPNJSA-N |
Product Overview
Pregnenolone 2,6-dimethyl-3-iodobenzoate (CAS 124784-16-3), with molecular formula C30H39IO3 and molecular weight 574.19 g/mol. IUPAC: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-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 Pregnenolone 2,6-dimethyl-3-iodobenzoate
Property Insights of Pregnenolone 2,6-dimethyl-3-iodobenzoate
The XLogP value of 7.8 indicates that Pregnenolone 2,6-dimethyl-3-iodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Pregnenolone 2,6-dimethyl-3-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregnenolone 2,6-dimethyl-3-iodobenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pregnenolone 2,6-dimethyl-3-iodobenzoate?
The CAS number of Pregnenolone 2,6-dimethyl-3-iodobenzoate is 124784-16-3.
What is the molecular formula of Pregnenolone 2,6-dimethyl-3-iodobenzoate?
The molecular formula of Pregnenolone 2,6-dimethyl-3-iodobenzoate is C30H39IO3.
What is the molecular weight of Pregnenolone 2,6-dimethyl-3-iodobenzoate?
The molecular weight of Pregnenolone 2,6-dimethyl-3-iodobenzoate is 574.19 g/mol.
Where can I buy Pregnenolone 2,6-dimethyl-3-iodobenzoate?
You can request a quote for Pregnenolone 2,6-dimethyl-3-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnenolone 2,6-dimethyl-3-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Pregnenolone 2,6-dimethyl-3-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.