Pmsd
TL;DR: Pmsd (CAS 101831-49-6) is a chemical compound with molecular formula C39H49NO9S and molecular weight 707.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: PMSD, 1-(morpholin-4-yl)tridecan-1-one, Papaverine salt of sulfuric ester of dehydroepiandrosterone, Papaverin-3-monosolfato del deidroepiandrosterone, Papaverin-3-monosolfato del deidroepiandrosterone [Italian]
| Molecular Formula | C39H49NO9S |
|---|---|
| Molecular Weight | 707.31 g/mol |
| LogP | 7.57 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 707.3128 |
| Heavy Atoms | 50 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 101831-49-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(C4)OS(=O)(=O)O)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
| InChIKey | ZZOXHLNZOZHWJS-LNTAAPBVSA-N |
Product Overview
Pmsd (CAS 101831-49-6), with molecular formula C39H49NO9S and molecular weight 707.31 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Pmsd
Property Insights of Pmsd
The XLogP value of 7.57 indicates that Pmsd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pmsd. Following Lipinski's Rule of Five, Pmsd has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pmsd?
The CAS number of Pmsd is 101831-49-6.
What is the molecular formula of Pmsd?
The molecular formula of Pmsd is C39H49NO9S.
What is the molecular weight of Pmsd?
The molecular weight of Pmsd is 707.31 g/mol.
Where can I buy Pmsd?
You can request a quote for Pmsd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pmsd?
Yes, KEHONG BIO provides custom synthesis services for Pmsd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.