Dodeca-valinomycin
TL;DR: Dodeca-valinomycin (CAS 13507-80-7) is a chemical compound with molecular formula C60H102N6O18 and molecular weight 1194.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-3,6,9,12,15,18,21,24,27,30,33,36-dodeca(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
Also Known As: Dodeca-valinomycin, meso-Valinomycin, Cyclo(D-val-hyi-val-D-hyi)3, Cyclo(valyl-hydroxyisovaleryl-valyl-hydroxyisovaleryl)3, (3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-3,6,9,12,15,18,21,24,27,30,33,36-dodeca(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
| Molecular Formula | C60H102N6O18 |
|---|---|
| Molecular Weight | 1194.73 g/mol |
| LogP | 4.2516 |
| Topological Polar Surface Area | 332.4 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 1194.7251 |
| Heavy Atoms | 84 |
| Complexity | 1733.7642 |
Chemical Identifiers
| CAS Number | 13507-80-7 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C |
Product Overview
Dodeca-valinomycin (CAS 13507-80-7), with molecular formula C60H102N6O18 and molecular weight 1194.73 g/mol. IUPAC: (3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-3,6,9,12,15,18,21,24,27,30,33,36-dodeca(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone.
Chemical Property Profile of Dodeca-valinomycin
Property Insights of Dodeca-valinomycin
The XLogP value of 4.2516 indicates that Dodeca-valinomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 332.4 Ų indicates high polarity, suggesting Dodeca-valinomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dodeca-valinomycin has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodeca-valinomycin?
The CAS number of Dodeca-valinomycin is 13507-80-7.
What is the molecular formula of Dodeca-valinomycin?
The molecular formula of Dodeca-valinomycin is C60H102N6O18.
What is the molecular weight of Dodeca-valinomycin?
The molecular weight of Dodeca-valinomycin is 1194.73 g/mol.
Where can I buy Dodeca-valinomycin?
You can request a quote for Dodeca-valinomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodeca-valinomycin?
Yes, KEHONG BIO provides custom synthesis services for Dodeca-valinomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.