Delcorine
TL;DR: Delcorine (CAS 52358-55-1) is a chemical compound with molecular formula C26H41NO7 and molecular weight 479.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3R,4S,5R,6S,8R,12S,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-ol
Also Known As: Delcorine, BPBio1_000801, (1S,2R,3R,4S,5R,6S,8R,12S,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-ol, (1S,2R,3R,4S,5R,6S,8R,12S,16S,19S,20R,21S)-14-Ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docosan-21-ol, Aconitan-6-ol, 20-ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]-, (1alpha,6beta,14alpha,16beta)-
| Molecular Formula | C26H41NO7 |
|---|---|
| Molecular Weight | 479.29 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.2883 |
| Heavy Atoms | 34 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 52358-55-1 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@H]4[C@@H]6[C@H]7OC)OC)OCO5)O)OC)COC |
| InChIKey | XTLROSDJDZHIIK-VIGIWSGCSA-N |
Product Overview
Delcorine (CAS 52358-55-1), with molecular formula C26H41NO7 and molecular weight 479.29 g/mol. IUPAC: (1S,2R,3R,4S,5R,6S,8R,12S,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-ol.
Chemical Property Profile of Delcorine
Property Insights of Delcorine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Delcorine. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Delcorine. Following Lipinski's Rule of Five, Delcorine has 1 hydrogen bond donor(s) and 8 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 Delcorine?
The CAS number of Delcorine is 52358-55-1.
What is the molecular formula of Delcorine?
The molecular formula of Delcorine is C26H41NO7.
What is the molecular weight of Delcorine?
The molecular weight of Delcorine is 479.29 g/mol.
Where can I buy Delcorine?
You can request a quote for Delcorine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delcorine?
Yes, KEHONG BIO provides custom synthesis services for Delcorine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.