Sporidesmin
TL;DR: Sporidesmin (CAS 1456-55-9) is a chemical compound with molecular formula C18H20ClN3O6S2 and molecular weight 473.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Also Known As: Sporidesmin, Sporidesmin A, Hydroxysporidesmin B, isosporidesmin B, SPORIDESMIN A [MI]
| Molecular Formula | C18H20ClN3O6S2 |
|---|---|
| Molecular Weight | 473.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 473.04822 |
| Heavy Atoms | 30 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 1456-55-9 |
|---|---|
| SMILES | C[C@@]12C(=O)N3[C@@H]4[C@]([C@H]([C@]3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O |
| InChIKey | QTONANGUNATZOU-ICTVWZTPSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sporidesmin (CAS 1456-55-9), with molecular formula C18H20ClN3O6S2 and molecular weight 473.05 g/mol. IUPAC: (1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione.
Chemical Property Profile of Sporidesmin
Property Insights of Sporidesmin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sporidesmin. The TPSA of 153.0 Ų indicates high polarity, suggesting Sporidesmin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sporidesmin has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sporidesmin?
The CAS number of Sporidesmin is 1456-55-9.
What is the molecular formula of Sporidesmin?
The molecular formula of Sporidesmin is C18H20ClN3O6S2.
What is the molecular weight of Sporidesmin?
The molecular weight of Sporidesmin is 473.05 g/mol.
Where can I buy Sporidesmin?
You can request a quote for Sporidesmin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sporidesmin?
Yes, KEHONG BIO provides custom synthesis services for Sporidesmin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.