Dehydroheteratisine
TL;DR: Dehydroheteratisine (CAS 52341-40-9) is a chemical compound with molecular formula C22H31NO5 and molecular weight 389.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,6S,9R,10S,18S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosane-4,19-dione
Also Known As: DEHYDROHETERATISINE, (2S,3R,6S,9R,10S,18S)-12-Ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1~2,6~.0~1,11~.0~3,9~.0~14,18~]icosane-4,19-dione
| Molecular Formula | C22H31NO5 |
|---|---|
| Molecular Weight | 389.22 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.2202 |
| Heavy Atoms | 28 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 52341-40-9 |
|---|---|
| SMILES | CCN1CC2(CCC(C34[C@H]2C(=O)[C@@H](C31)[C@@]5(CC[C@H]6C[C@H]4[C@H]5C(=O)O6)O)OC)C |
| InChIKey | KSWQOYGHBFLKSV-PYVVFVGSSA-N |
Product Overview
Dehydroheteratisine (CAS 52341-40-9), with molecular formula C22H31NO5 and molecular weight 389.22 g/mol. IUPAC: (2S,3R,6S,9R,10S,18S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosane-4,19-dione.
Chemical Property Profile of Dehydroheteratisine
Property Insights of Dehydroheteratisine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroheteratisine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroheteratisine. Following Lipinski's Rule of Five, Dehydroheteratisine has 1 hydrogen bond donor(s) and 6 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 Dehydroheteratisine?
The CAS number of Dehydroheteratisine is 52341-40-9.
What is the molecular formula of Dehydroheteratisine?
The molecular formula of Dehydroheteratisine is C22H31NO5.
What is the molecular weight of Dehydroheteratisine?
The molecular weight of Dehydroheteratisine is 389.22 g/mol.
Where can I buy Dehydroheteratisine?
You can request a quote for Dehydroheteratisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroheteratisine?
Yes, KEHONG BIO provides custom synthesis services for Dehydroheteratisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.