Pachysamine A
TL;DR: Pachysamine A (CAS 6801-29-2) is a chemical compound with molecular formula C24H44N2 and molecular weight 360.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
Also Known As: Pachysamine A, N~3~,N~20~,N~20~-Trimethylpregnane-3,20-diamine, (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine, (20S)-N,N ,N -Trimethyl-5alpha-pregnane-3alpha,20-diamine, 5-alpha-Pregnane-3-alpha,20-alpha-diamine, N(sup 3),N(sup 20),N(sup 20)-trimethyl-
| Molecular Formula | C24H44N2 |
|---|---|
| Molecular Weight | 360.35 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.35046 |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 6801-29-2 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC)C)C)N(C)C |
| InChIKey | NLOJUKSOUNWUSW-HLSPMNIASA-N |
Product Overview
Pachysamine A (CAS 6801-29-2), with molecular formula C24H44N2 and molecular weight 360.35 g/mol. IUPAC: (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine.
Chemical Property Profile of Pachysamine A
Property Insights of Pachysamine A
The XLogP value of 6.2 indicates that Pachysamine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, Pachysamine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pachysamine A has 1 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 Pachysamine A?
The CAS number of Pachysamine A is 6801-29-2.
What is the molecular formula of Pachysamine A?
The molecular formula of Pachysamine A is C24H44N2.
What is the molecular weight of Pachysamine A?
The molecular weight of Pachysamine A is 360.35 g/mol.
Where can I buy Pachysamine A?
You can request a quote for Pachysamine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pachysamine A?
Yes, KEHONG BIO provides custom synthesis services for Pachysamine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.