Solacongestidine
TL;DR: Solacongestidine (CAS 984-82-7) is a chemical compound with molecular formula C27H45NO and molecular weight 399.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3R)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Solacongestidine, NCI60_041933, (3beta,5alpha,25beta)-16,28-Secosolanid-22(28)-en-3-ol, 16,28-Secosolanid-22(28)-en-3-ol, (3beta,5alpha,25beta)-, (25?)-16,28-Seco-5?-Solanid-22(28)-En-3?-Ol
| Molecular Formula | C27H45NO |
|---|---|
| Molecular Weight | 399.35 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.35013 |
| Heavy Atoms | 29 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 984-82-7 |
|---|---|
| SMILES | C[C@@H]1CCC(=NC1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C |
| InChIKey | MSKAAWFUKWQOQS-YNAJWQGRSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Solacongestidine (CAS 984-82-7), with molecular formula C27H45NO and molecular weight 399.35 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3R)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Solacongestidine
Property Insights of Solacongestidine
The XLogP value of 6.7 indicates that Solacongestidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, Solacongestidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Solacongestidine 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 Solacongestidine?
The CAS number of Solacongestidine is 984-82-7.
What is the molecular formula of Solacongestidine?
The molecular formula of Solacongestidine is C27H45NO.
What is the molecular weight of Solacongestidine?
The molecular weight of Solacongestidine is 399.35 g/mol.
Where can I buy Solacongestidine?
You can request a quote for Solacongestidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solacongestidine?
Yes, KEHONG BIO provides custom synthesis services for Solacongestidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.