Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-
TL;DR: Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)- (CAS 33215-68-8) is a chemical compound with molecular formula C20H28O6 and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,8R,9R,12S,13S,14S,16R,18R)-9,14,18-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one
Also Known As: Epinodosinol, KST-1A3872, Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-, (3as,6r,8r,10s,10as,10bs,13r,13ar)-6,10,13-trihydroxy-1,1-dimethyl-7-methylidenedodecahydro-5a,8-methanocyclohepta[c]furo[3,4-e]chromen-5-one, Enmein, 1-deoxo-13-deoxy-1,5-dihydroxy-, (1alpha,5alpha)-
| Molecular Formula | C20H28O6 |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 364.1886 |
| Heavy Atoms | 26 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 33215-68-8 |
|---|---|
| SMILES | CC1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4[C@H](C[C@H]5CC4([C@@H](C5=C)O)C(=O)O2)O)C |
| InChIKey | GVECAQZXEMZIGZ-OXUJBKPGSA-N |
Product Overview
Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)- (CAS 33215-68-8), with molecular formula C20H28O6 and molecular weight 364.19 g/mol. IUPAC: (4S,8R,9R,12S,13S,14S,16R,18R)-9,14,18-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one.
Chemical Property Profile of Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-
Property Insights of Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-. Following Lipinski's Rule of Five, Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)- has 3 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 Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-?
The CAS number of Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)- is 33215-68-8.
What is the molecular formula of Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-?
The molecular formula of Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)- is C20H28O6.
What is the molecular weight of Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-?
The molecular weight of Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)- is 364.19 g/mol.
Where can I buy Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-?
You can request a quote for Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)-?
Yes, KEHONG BIO provides custom synthesis services for Enmein,1-deoxo-13-deoxy-1,5-dihydroxy-, (1a,5a)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.