环杆菌素
TL;DR: 环杆菌素 (CAS 9008-54-2) is a chemical compound with molecular formula C45H84N16O13 and molecular weight 1056.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环杆菌素
(2S,3R)-2-[[(2S)-4-amino-2-formamidobutanoyl]amino]-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-[(2S)-butan-2-yl]-3-[(1R)-1-hydroxyethyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide
Also Known As: Polypeptin, CIRCULIN, circulin (former name), EINECS 232-717-1, 232-717-1
| Molecular Formula | C45H84N16O13 |
|---|---|
| Molecular Weight | 1056.64 g/mol |
| LogP | -8.4181 |
| Topological Polar Surface Area | 490.66 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Exact Mass | 1056.6404 |
| Heavy Atoms | 74 |
| Complexity | 1878.076 |
Chemical Identifiers
| CAS Number | 9008-54-2 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC=O)[C@@H](C)O)CCN)CCN |
Product Overview
环杆菌素 (CAS 9008-54-2), with molecular formula C45H84N16O13 and molecular weight 1056.64 g/mol. IUPAC: (2S,3R)-2-[[(2S)-4-amino-2-formamidobutanoyl]amino]-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-[(2S)-butan-2-yl]-3-[(1R)-1-hydroxyethyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide.
Chemical Property Profile of 环杆菌素
Property Insights of 环杆菌素
The XLogP value of -8.4181 indicates that 环杆菌素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 490.66 Ų indicates high polarity, suggesting 环杆菌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 环杆菌素 has 18 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 环杆菌素?
The CAS number of 环杆菌素 is 9008-54-2.
What is the molecular formula of 环杆菌素?
The molecular formula of 环杆菌素 is C45H84N16O13.
What is the molecular weight of 环杆菌素?
The molecular weight of 环杆菌素 is 1056.64 g/mol.
Where can I buy 环杆菌素?
You can request a quote for 环杆菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环杆菌素?
Yes, KEHONG BIO provides custom synthesis services for 环杆菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.