3beta-Isodihydrocadambine
TL;DR: 3beta-Isodihydrocadambine (CAS 6687-76-9) is a chemical compound with molecular formula C27H34N2O10 and molecular weight 546.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Also Known As: 3beta-Isodihydrocadambine, A-Isodihydrocadambine, 3??-Isodihydrocadambine, 3-Beta-isodihydrocadambine, J1.852.946G
| Molecular Formula | C27H34N2O10 |
|---|---|
| Molecular Weight | 546.22 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.2214 |
| Heavy Atoms | 39 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 6687-76-9 |
|---|---|
| SMILES | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]3C4=C(CCN3[C@H]2CO)C5=CC=CC=C5N4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | FCECVXQMCZMWDG-QLIJHQAKSA-N |
Product Overview
3beta-Isodihydrocadambine (CAS 6687-76-9), with molecular formula C27H34N2O10 and molecular weight 546.22 g/mol. IUPAC: methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate.
Chemical Property Profile of 3beta-Isodihydrocadambine
Property Insights of 3beta-Isodihydrocadambine
The XLogP value of -0.4 indicates that 3beta-Isodihydrocadambine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting 3beta-Isodihydrocadambine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3beta-Isodihydrocadambine has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta-Isodihydrocadambine?
The CAS number of 3beta-Isodihydrocadambine is 6687-76-9.
What is the molecular formula of 3beta-Isodihydrocadambine?
The molecular formula of 3beta-Isodihydrocadambine is C27H34N2O10.
What is the molecular weight of 3beta-Isodihydrocadambine?
The molecular weight of 3beta-Isodihydrocadambine is 546.22 g/mol.
Where can I buy 3beta-Isodihydrocadambine?
You can request a quote for 3beta-Isodihydrocadambine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Isodihydrocadambine?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Isodihydrocadambine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.