Thiobinupharidine
TL;DR: Thiobinupharidine (CAS 30343-72-7) is a chemical compound with molecular formula C30H42N2O2S and molecular weight 494.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Thiobinupharidine, Thionuphlutine A, Neothiobinupharidine, (7S,13S)-, (7S,13S)-Neothiobinupharidine, (2'S,3''S,6S,6''S,9R,9''R,9aS,9''aS)-6,6''-Di(furan-3-yl)-9,9''-dimethyldodecahydro-2H,2''H,4H,4''H-dispiro[quinolizine-3,2'-thiolane-4',3''-quinolizine]
| Molecular Formula | C30H42N2O2S |
|---|---|
| Molecular Weight | 494.30 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 494.2967 |
| Heavy Atoms | 35 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 30343-72-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](N2[C@H]1CC[C@@]3(C2)C[C@]4(CC[C@H]5[C@@H](CC[C@H](N5C4)C6=COC=C6)C)SC3)C7=COC=C7 |
| InChIKey | WBMOHCBEBDKSBI-JYZUVFRYSA-N |
Product Overview
Thiobinupharidine (CAS 30343-72-7), with molecular formula C30H42N2O2S and molecular weight 494.30 g/mol.
Chemical Property Profile of Thiobinupharidine
Property Insights of Thiobinupharidine
The XLogP value of 5.9 indicates that Thiobinupharidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, Thiobinupharidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiobinupharidine has 0 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 Thiobinupharidine?
The CAS number of Thiobinupharidine is 30343-72-7.
What is the molecular formula of Thiobinupharidine?
The molecular formula of Thiobinupharidine is C30H42N2O2S.
What is the molecular weight of Thiobinupharidine?
The molecular weight of Thiobinupharidine is 494.30 g/mol.
Where can I buy Thiobinupharidine?
You can request a quote for Thiobinupharidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiobinupharidine?
Yes, KEHONG BIO provides custom synthesis services for Thiobinupharidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.