皱褶菌素
TL;DR: 皱褶菌素 (CAS 53760-19-3) is a chemical compound with molecular formula C30H39NO5 and molecular weight 493.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
皱褶菌素
(16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate
Also Known As: Paspalin, Cytochalasin-H, CYTOCHALASIN H, Paspalin P I, Kodocytochalasin 1
| Molecular Formula | C30H39NO5 |
|---|---|
| Molecular Weight | 493.28 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.28284 |
| Heavy Atoms | 36 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 53760-19-3 |
|---|---|
| SMILES | CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O |
| InChIKey | NAEWXXDGBKTIMN-UHFFFAOYSA-N |
Product Overview
皱褶菌素 (CAS 53760-19-3), with molecular formula C30H39NO5 and molecular weight 493.28 g/mol. IUPAC: (16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate.
Chemical Property Profile of 皱褶菌素
Property Insights of 皱褶菌素
The XLogP value of 3.4 indicates that 皱褶菌素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 皱褶菌素. Following Lipinski's Rule of Five, 皱褶菌素 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 皱褶菌素?
The CAS number of 皱褶菌素 is 53760-19-3.
What is the molecular formula of 皱褶菌素?
The molecular formula of 皱褶菌素 is C30H39NO5.
What is the molecular weight of 皱褶菌素?
The molecular weight of 皱褶菌素 is 493.28 g/mol.
Where can I buy 皱褶菌素?
You can request a quote for 皱褶菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 皱褶菌素?
Yes, KEHONG BIO provides custom synthesis services for 皱褶菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.