Sporidesmin D
TL;DR: Sporidesmin D (CAS 18180-71-7) is a chemical compound with molecular formula C20H26ClN3O6S2 and molecular weight 503.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-chloro-8,9-dihydroxy-13,14-dimethoxy-4,5,16-trimethyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: Sporidesmin D, 12-Chloro-8,9-dihydroxy-13,14-dimethoxy-4,5,16-trimethyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione, 2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,5aH)-dione, 9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylthio)-, 9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylsulfanyl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 9-Chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylthio)-2H-pyrazino[1 ,2 :1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
| Molecular Formula | C20H26ClN3O6S2 |
|---|---|
| Molecular Weight | 503.10 g/mol |
| LogP | 1.1343 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.09515 |
| Heavy Atoms | 32 |
| Complexity | 1029.5396 |
Chemical Identifiers
| CAS Number | 18180-71-7 |
|---|---|
| SMILES | CC1(C(=O)N2C3C(C(C2(C(=O)N1C)SC)O)(C4=CC(=C(C(=C4N3C)OC)OC)Cl)O)SC |
Product Overview
Sporidesmin D (CAS 18180-71-7), with molecular formula C20H26ClN3O6S2 and molecular weight 503.10 g/mol. IUPAC: 12-chloro-8,9-dihydroxy-13,14-dimethoxy-4,5,16-trimethyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
Chemical Property Profile of Sporidesmin D
Property Insights of Sporidesmin D
The XLogP value of 1.1343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sporidesmin D. The TPSA of 102.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Sporidesmin D. Following Lipinski's Rule of Five, Sporidesmin D has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sporidesmin D?
The CAS number of Sporidesmin D is 18180-71-7.
What is the molecular formula of Sporidesmin D?
The molecular formula of Sporidesmin D is C20H26ClN3O6S2.
What is the molecular weight of Sporidesmin D?
The molecular weight of Sporidesmin D is 503.10 g/mol.
Where can I buy Sporidesmin D?
You can request a quote for Sporidesmin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sporidesmin D?
Yes, KEHONG BIO provides custom synthesis services for Sporidesmin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.