Paxillarine A
TL;DR: Paxillarine A (CAS 145022-89-5) is a chemical compound with molecular formula C33H50N2O4 and molecular weight 538.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[benzoyl(methyl)amino]-17-[1-(dimethylamino)ethyl]-16-hydroxy-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: Paxillarine A, [3-[benzoyl(methyl)amino]-17-[1-(dimethylamino)ethyl]-16-hydroxy-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, 3-(Benzoyl(methyl)amino)-20-(dimethylamino)-16-hydroxypregnan-4-yl acetate, Benzamide, N-[(3a,4b,5a,16b,20S)-4-(acetyloxy)-20-(dimethylamino)-16-hydroxypregnan-3-yl]-N-methyl-
| Molecular Formula | C33H50N2O4 |
|---|---|
| Molecular Weight | 538.38 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.3771 |
| Heavy Atoms | 39 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 145022-89-5 |
|---|---|
| SMILES | CC(C1C(CC2C1(CCC3C2CCC4C3(CCC(C4OC(=O)C)N(C)C(=O)C5=CC=CC=C5)C)C)O)N(C)C |
| InChIKey | CEFWIVSCALJZMU-UHFFFAOYSA-N |
Product Overview
Paxillarine A (CAS 145022-89-5), with molecular formula C33H50N2O4 and molecular weight 538.38 g/mol. IUPAC: [3-[benzoyl(methyl)amino]-17-[1-(dimethylamino)ethyl]-16-hydroxy-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 Paxillarine A
Property Insights of Paxillarine A
The XLogP value of 6.0 indicates that Paxillarine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Paxillarine A. Following Lipinski's Rule of Five, Paxillarine A has 1 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 Paxillarine A?
The CAS number of Paxillarine A is 145022-89-5.
What is the molecular formula of Paxillarine A?
The molecular formula of Paxillarine A is C33H50N2O4.
What is the molecular weight of Paxillarine A?
The molecular weight of Paxillarine A is 538.38 g/mol.
Where can I buy Paxillarine A?
You can request a quote for Paxillarine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paxillarine A?
Yes, KEHONG BIO provides custom synthesis services for Paxillarine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.