Pachysandrine A
TL;DR: Pachysandrine A (CAS 6879-28-3) is a chemical compound with molecular formula C33H50N2O3 and molecular weight 522.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,5R,10R,13S,17S)-3-[benzoyl(methyl)amino]-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Also Known As: Pachysandrine A, Benzamide, N-((3-alpha,4-beta,5-alpha,20S)-4-(acetyloxy)-20-(dimethylamino)pregnan-3-yl)-N-methyl-, 3-[Benzoyl(methyl)amino]-20-(dimethylamino)pregnan-4-yl acetate, [(4R,5R,10R,13S,17S)-3-[benzoyl(methyl)amino]-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate, (8xi,9xi,14xi)-20-(Dimethylamino)-3-(N-methylbenzamido)-5alpha-pregnan-4beta-yl acetate
| Molecular Formula | C33H50N2O3 |
|---|---|
| Molecular Weight | 522.38 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.38214 |
| Heavy Atoms | 38 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 6879-28-3 |
|---|---|
| SMILES | CC([C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC([C@@H]4OC(=O)C)N(C)C(=O)C5=CC=CC=C5)C)C)N(C)C |
| InChIKey | ZQUSGHWWSCAMAR-BIVHXRCOSA-N |
Product Overview
Pachysandrine A (CAS 6879-28-3), with molecular formula C33H50N2O3 and molecular weight 522.38 g/mol. IUPAC: [(4R,5R,10R,13S,17S)-3-[benzoyl(methyl)amino]-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate.
Chemical Property Profile of Pachysandrine A
Property Insights of Pachysandrine A
The XLogP value of 7.2 indicates that Pachysandrine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, Pachysandrine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pachysandrine A has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pachysandrine A?
The CAS number of Pachysandrine A is 6879-28-3.
What is the molecular formula of Pachysandrine A?
The molecular formula of Pachysandrine A is C33H50N2O3.
What is the molecular weight of Pachysandrine A?
The molecular weight of Pachysandrine A is 522.38 g/mol.
Where can I buy Pachysandrine A?
You can request a quote for Pachysandrine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pachysandrine A?
Yes, KEHONG BIO provides custom synthesis services for Pachysandrine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.