nargenicin
TL;DR: nargenicin (CAS 70695-02-2) is a chemical compound with molecular formula C28H37NO8 and molecular weight 515.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
Also Known As: nargenicin, Nargenicin A1
| Molecular Formula | C28H37NO8 |
|---|---|
| Molecular Weight | 515.25 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.2519 |
| Heavy Atoms | 37 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 70695-02-2 |
|---|---|
| SMILES | C[C@@H]1C=C([C@]23[C@@H](C[C@H](C(=O)O[C@H]1C(C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)C5=CC=CN5)C)O)C |
| InChIKey | YEUSSARNQQYBKH-UYFAJJFVSA-N |
Product Overview
nargenicin (CAS 70695-02-2), with molecular formula C28H37NO8 and molecular weight 515.25 g/mol. IUPAC: [(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate.
Chemical Property Profile of nargenicin
Property Insights of nargenicin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for nargenicin. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for nargenicin. Following Lipinski's Rule of Five, nargenicin has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of nargenicin?
The CAS number of nargenicin is 70695-02-2.
What is the molecular formula of nargenicin?
The molecular formula of nargenicin is C28H37NO8.
What is the molecular weight of nargenicin?
The molecular weight of nargenicin is 515.25 g/mol.
Where can I buy nargenicin?
You can request a quote for nargenicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nargenicin?
Yes, KEHONG BIO provides custom synthesis services for nargenicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.