verruculogen
TL;DR: verruculogen (CAS 12771-72-1) is a chemical compound with molecular formula C27H35N3O7 and molecular weight 513.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-2(7),3,5-triene-16,22-dione
Also Known As: verruculogen, 10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-1,9b,10,10a,14,14a,15b,15c-octahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione
| Molecular Formula | C27H35N3O7 |
|---|---|
| Molecular Weight | 513.25 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 513.2475 |
| Heavy Atoms | 37 |
| Complexity | 998.0 |
Chemical Identifiers
| CAS Number | 12771-72-1 |
|---|---|
| SMILES | CC(=CC1N2C3C(CC(OO1)(C)C)N4C(=O)C5CCCN5C(=O)C4(C(C3C6=C2C=C(C=C6)OC)O)O)C |
| InChIKey | GWIWVUJHTCZBOP-UHFFFAOYSA-N |
Product Overview
verruculogen (CAS 12771-72-1), with molecular formula C27H35N3O7 and molecular weight 513.25 g/mol. IUPAC: 23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-2(7),3,5-triene-16,22-dione.
Chemical Property Profile of verruculogen
Property Insights of verruculogen
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for verruculogen. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for verruculogen. Following Lipinski's Rule of Five, verruculogen has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of verruculogen?
The CAS number of verruculogen is 12771-72-1.
What is the molecular formula of verruculogen?
The molecular formula of verruculogen is C27H35N3O7.
What is the molecular weight of verruculogen?
The molecular weight of verruculogen is 513.25 g/mol.
Where can I buy verruculogen?
You can request a quote for verruculogen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for verruculogen?
Yes, KEHONG BIO provides custom synthesis services for verruculogen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.