Roritoxin A
TL;DR: Roritoxin A (CAS 102852-48-2) is a chemical compound with molecular formula C29H34O10 and molecular weight 542.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,4E,22Z)-26,27-dihydroxy-9,15-dimethylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-2,4,14,22-tetraene-10,2'-oxirane]-6,21-dione
Also Known As: Roritoxin A, Vertisporin, 7',8'-didehydro-
| Molecular Formula | C29H34O10 |
|---|---|
| Molecular Weight | 542.22 g/mol |
| LogP | 1.4039 |
| Topological Polar Surface Area | 133.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 542.2152 |
| Heavy Atoms | 39 |
| Complexity | 1214.3135 |
Chemical Identifiers
| CAS Number | 102852-48-2 |
|---|---|
| SMILES | CC1=CC2C3(CC1)COC(=O)/C=C\4/CCOC5(C4OC(C5O)O)/C=C\C=C\C(=O)OC6C3(C7(CO7)C(C6)O2)C |
Product Overview
Roritoxin A (CAS 102852-48-2), with molecular formula C29H34O10 and molecular weight 542.22 g/mol. IUPAC: (2Z,4E,22Z)-26,27-dihydroxy-9,15-dimethylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-2,4,14,22-tetraene-10,2'-oxirane]-6,21-dione.
Chemical Property Profile of Roritoxin A
Property Insights of Roritoxin A
The XLogP value of 1.4039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roritoxin A. The TPSA of 133.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Roritoxin A. Following Lipinski's Rule of Five, Roritoxin A has 2 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 Roritoxin A?
The CAS number of Roritoxin A is 102852-48-2.
What is the molecular formula of Roritoxin A?
The molecular formula of Roritoxin A is C29H34O10.
What is the molecular weight of Roritoxin A?
The molecular weight of Roritoxin A is 542.22 g/mol.
Where can I buy Roritoxin A?
You can request a quote for Roritoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roritoxin A?
Yes, KEHONG BIO provides custom synthesis services for Roritoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.