Neocercosporin
TL;DR: Neocercosporin (CAS 67533-78-2) is a chemical compound with molecular formula C29H26O10 and molecular weight 534.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,16-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3,5,8,10,15,17,20,22-nonaene-7,19-dione
Also Known As: Neocercosporin, NEOCEROSPORIN, 5,8-Dihydroxy-2,11-dimethoxy-1,12-(2-hydroxypropyl) -6,7-methylenedioxyperylene-3,10-quinone, Perylo(1,12-def)-1,3-dioxepin-6,11-dione, 4,13-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-, 4,13-Dihydroxy-8,9-bis -7,10-dimethoxyperylo[1,12-def]-1,3-dioxepin-6,11-dione
| Molecular Formula | C29H26O10 |
|---|---|
| Molecular Weight | 534.15 g/mol |
| LogP | 2.8991 |
| Topological Polar Surface Area | 151.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.1526 |
| Heavy Atoms | 39 |
| Complexity | 1787.0461 |
Chemical Identifiers
| CAS Number | 67533-78-2 |
|---|---|
| SMILES | CC(CC1=C(C(=O)C2=CC(=C3C4=C5C6=C(C1=C24)C(=C(C(=O)C6=CC(=C5OCO3)O)OC)CC(C)O)O)OC)O |
Product Overview
Neocercosporin (CAS 67533-78-2), with molecular formula C29H26O10 and molecular weight 534.15 g/mol. IUPAC: 10,16-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3,5,8,10,15,17,20,22-nonaene-7,19-dione.
Chemical Property Profile of Neocercosporin
Property Insights of Neocercosporin
The XLogP value of 2.8991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neocercosporin. The TPSA of 151.98 Ų indicates high polarity, suggesting Neocercosporin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neocercosporin has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neocercosporin?
The CAS number of Neocercosporin is 67533-78-2.
What is the molecular formula of Neocercosporin?
The molecular formula of Neocercosporin is C29H26O10.
What is the molecular weight of Neocercosporin?
The molecular weight of Neocercosporin is 534.15 g/mol.
Where can I buy Neocercosporin?
You can request a quote for Neocercosporin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neocercosporin?
Yes, KEHONG BIO provides custom synthesis services for Neocercosporin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.