Sporidesmin J
TL;DR: Sporidesmin J (CAS 69799-25-3) is a chemical compound with molecular formula C17H18ClN3O6S2 and molecular weight 459.03 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-14,18-dimethyl-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 J, DE-N6-METHYLSPORIDESMIN, (+-)-SPORIDESMIN J, (+/-)-SPORIDESMIN J, SPORIDESMIN J, (+-)-
| Molecular Formula | C17H18ClN3O6S2 |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.03256 |
| Heavy Atoms | 29 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 69799-25-3 |
|---|---|
| SMILES | C[C@@]12C(=O)N3[C@@H]4[C@]([C@H]([C@]3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4)OC)OC)Cl)O |
| InChIKey | QMMDQXDENCYFDX-UNTBTUBKSA-N |
Product Overview
Sporidesmin J (CAS 69799-25-3), with molecular formula C17H18ClN3O6S2 and molecular weight 459.03 g/mol. IUPAC: (1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-14,18-dimethyl-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 J
Property Insights of Sporidesmin J
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sporidesmin J. The TPSA of 162.0 Ų indicates high polarity, suggesting Sporidesmin J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sporidesmin J has 3 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 J?
The CAS number of Sporidesmin J is 69799-25-3.
What is the molecular formula of Sporidesmin J?
The molecular formula of Sporidesmin J is C17H18ClN3O6S2.
What is the molecular weight of Sporidesmin J?
The molecular weight of Sporidesmin J is 459.03 g/mol.
Where can I buy Sporidesmin J?
You can request a quote for Sporidesmin J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sporidesmin J?
Yes, KEHONG BIO provides custom synthesis services for Sporidesmin J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.