Sporidesmin A, comp. with benzene
TL;DR: Sporidesmin A, comp. with benzene (CAS 5542-01-8) is a chemical compound with molecular formula C24H26ClN3O6S2 and molecular weight 551.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene;(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 benzene (1:1), Sporidesmin A, comp. with benzene, Sporidesmin-benzene complex (1:1), 3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione, 2,3,5a,6,10b,11-hexahydro-9-chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3-alpha,5a-alpha,10b-alpha,11-beta,11a-alpha)-, compd. with benzene (1:1), (3R,5aR,10bS,11R)-9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione--benzene (1/1)
| Molecular Formula | C24H26ClN3O6S2 |
|---|---|
| Molecular Weight | 551.10 g/mol |
| LogP | 2.4899 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 551.09515 |
| Heavy Atoms | 36 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 5542-01-8 |
|---|---|
| SMILES | C[C@@]12C(=O)N3[C@@H]4[C@]([C@H](C3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O.C1=CC=CC=C1 |
| InChIKey | VRPFUHCQIFQRAK-HLAHMVKYSA-N |
Product Overview
Sporidesmin A, comp. with benzene (CAS 5542-01-8), with molecular formula C24H26ClN3O6S2 and molecular weight 551.10 g/mol. IUPAC: benzene;(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 A, comp. with benzene
Property Insights of Sporidesmin A, comp. with benzene
The XLogP value of 2.4899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sporidesmin A, comp. with benzene. The TPSA of 153.0 Ų indicates high polarity, suggesting Sporidesmin A, comp. with benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sporidesmin A, comp. with benzene 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 A, comp. with benzene?
The CAS number of Sporidesmin A, comp. with benzene is 5542-01-8.
What is the molecular formula of Sporidesmin A, comp. with benzene?
The molecular formula of Sporidesmin A, comp. with benzene is C24H26ClN3O6S2.
What is the molecular weight of Sporidesmin A, comp. with benzene?
The molecular weight of Sporidesmin A, comp. with benzene is 551.10 g/mol.
Where can I buy Sporidesmin A, comp. with benzene?
You can request a quote for Sporidesmin A, comp. with benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sporidesmin A, comp. with benzene?
Yes, KEHONG BIO provides custom synthesis services for Sporidesmin A, comp. with benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.