Sporidesmin B
TL;DR: Sporidesmin B (CAS 3351-96-0) is a chemical compound with molecular formula C18H20ClN3O5S2 and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-hydroxy-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 B, sporidesmin-B, isosporidesmin B, SPORIDESMINE B, DL-SPORIDESMIN B
| Molecular Formula | C18H20ClN3O5S2 |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 457.05328 |
| Heavy Atoms | 29 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 3351-96-0 |
|---|---|
| SMILES | CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O |
| InChIKey | HCAHETRFJITQNU-UHFFFAOYSA-N |
Product Overview
Sporidesmin B (CAS 3351-96-0), with molecular formula C18H20ClN3O5S2 and molecular weight 457.05 g/mol. IUPAC: 6-chloro-3-hydroxy-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 B
Property Insights of Sporidesmin B
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sporidesmin B. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sporidesmin B. Following Lipinski's Rule of Five, Sporidesmin B has 1 hydrogen bond donor(s) and 8 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 B?
The CAS number of Sporidesmin B is 3351-96-0.
What is the molecular formula of Sporidesmin B?
The molecular formula of Sporidesmin B is C18H20ClN3O5S2.
What is the molecular weight of Sporidesmin B?
The molecular weight of Sporidesmin B is 457.05 g/mol.
Where can I buy Sporidesmin B?
You can request a quote for Sporidesmin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sporidesmin B?
Yes, KEHONG BIO provides custom synthesis services for Sporidesmin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.