Pachystermine A
TL;DR: Pachystermine A (CAS 6156-99-6) is a chemical compound with molecular formula C29H48N2O2 and molecular weight 456.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-1-[(3S,5R,8S,9S,10R,13S,14S,17R)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one
Also Known As: Pachystermine A, 2-Azetidinone, 1-(20-alpha-(dimethylamino)-4-oxo-5-alpha-pregnan-3-beta-yl)-3-isopropyl-, (3R)-, (3R)-1-[(3S,5R,8S,9S,10R,13S,14S,17R)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one, 20-(Dimethylamino)-3-[2-oxo-3-(propan-2-yl)azetidin-1-yl]pregnan-4-one, (3R)-1-((3S,5R,8S,9S,10R,13S,14S,17R)-17-(1-(dimethylamino)ethyl)-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-yl)-3-propan-2-ylazetidin-2-one
| Molecular Formula | C29H48N2O2 |
|---|---|
| Molecular Weight | 456.37 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.37158 |
| Heavy Atoms | 33 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 6156-99-6 |
|---|---|
| SMILES | CC(C)[C@@H]1CN(C1=O)[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC[C@H]3C2=O)CC[C@H]5C(C)N(C)C)C)C |
| InChIKey | MHFGHEARXPBTQH-PTKYFECBSA-N |
Product Overview
Pachystermine A (CAS 6156-99-6), with molecular formula C29H48N2O2 and molecular weight 456.37 g/mol. IUPAC: (3R)-1-[(3S,5R,8S,9S,10R,13S,14S,17R)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one.
Chemical Property Profile of Pachystermine A
Property Insights of Pachystermine A
The XLogP value of 6.1 indicates that Pachystermine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, Pachystermine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pachystermine A 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 Pachystermine A?
The CAS number of Pachystermine A is 6156-99-6.
What is the molecular formula of Pachystermine A?
The molecular formula of Pachystermine A is C29H48N2O2.
What is the molecular weight of Pachystermine A?
The molecular weight of Pachystermine A is 456.37 g/mol.
Where can I buy Pachystermine A?
You can request a quote for Pachystermine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pachystermine A?
Yes, KEHONG BIO provides custom synthesis services for Pachystermine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.