![N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid structure](/static/products/1153/115392-78-4.webp)
N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid
TL;DR: N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid (CAS 115392-78-4) is a chemical compound with molecular formula C35H54N2O6 and molecular weight 598.3982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(6S,7S,8R,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-4-hydroxy-3,5-dimethoxybenzamide
Also Known As: N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid, N-[(8xi,9xi,10xi,14xi,20S)-20-(Dimethylamino)-16alpha-hydroxy-4alpha-(hydroxymethyl)-4beta,14-dimethyl-5alpha-9,19-cyclopregnan-3beta-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid
Technical Specifications
| Molecular Formula | C35H54N2O6 |
| Molecular Weight | 598.3982 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 598.3982 Da |
| Heavy Atoms | 43 |
| Complexity | 1070.0 |
| SMILES | C[C@@H]([C@H]1[C@@H](CC2([C@@]1(CCC34C2CC[C@@H]5C3(C4)CC[C@@H]([C@@]5(C)CO)NC(=O)C6=CC(=C(C(=C6)OC)O)OC)C)C)O)N(C)C |
| InChIKey | DLMNMDWSPBXDSA-NWGZXSKPSA-N |
Chemical Property Profile of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid
Property Insights of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid
The XLogP value of 6.2 indicates that N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid. Following Lipinski's Rule of Five, N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid?
The CAS number of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid is 115392-78-4.
What is the molecular formula of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid?
The molecular formula of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid is C35H54N2O6.
What is the molecular weight of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid?
The molecular weight of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid is 598.3982 g/mol.
Where can I buy N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid?
You can request a quote for N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid?
Yes, CoreyChem provides custom synthesis services for N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.