缬氨霉素
TL;DR: 缬氨霉素 (CAS 2001-95-8) is a chemical compound with molecular formula C54H90N6O18 and molecular weight 1110.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
缬氨霉素
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(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: valinomycin, Valinomicin, valino, Antibiotic N-329 B, Potassium ionophore I
| Molecular Formula | C54H90N6O18 |
|---|---|
| Molecular Weight | 1110.63 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 332.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 1110.6311 |
| Heavy Atoms | 78 |
| Complexity | 1910.0 |
Chemical Identifiers
| CAS Number | 2001-95-8 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)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 |
| InChIKey | FCFNRCROJUBPLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
缬氨霉素 (CAS 2001-95-8), with molecular formula C54H90N6O18 and molecular weight 1110.63 g/mol. IUPAC: 6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(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 缬氨霉素
Property Insights of 缬氨霉素
The XLogP value of 9.1 indicates that 缬氨霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 332.0 Ų indicates high polarity, suggesting 缬氨霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 缬氨霉素 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 缬氨霉素?
The CAS number of 缬氨霉素 is 2001-95-8.
What is the molecular formula of 缬氨霉素?
The molecular formula of 缬氨霉素 is C54H90N6O18.
What is the molecular weight of 缬氨霉素?
The molecular weight of 缬氨霉素 is 1110.63 g/mol.
Where can I buy 缬氨霉素?
You can request a quote for 缬氨霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 缬氨霉素?
Yes, KEHONG BIO provides custom synthesis services for 缬氨霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.