Antrimycin
TL;DR: Antrimycin (CAS 80801-26-9) is a chemical compound with molecular formula C28H47N9O11 and molecular weight 685.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methylpent-2-enoyl]amino]-3-hydroxypropanoic acid
Also Known As: Antrimycin, Cirratiomycin B, Antrimycin A, (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methylpent-2-enoyl]amino]-3-hydroxypropanoic acid, L-Serine, 2-(hydroxymethyl)seryl-L-alanyl-L-erythro-alpha,beta-diaminobutyryl-L-2,3,4,5-tetrahydro-3-pyridazinecarbonyl-L-alanyl-(E)-2,3-didehydroisoleucyl-
| Molecular Formula | C28H47N9O11 |
|---|---|
| Molecular Weight | 685.34 g/mol |
| LogP | -5.1514 |
| Topological Polar Surface Area | 328.2 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 685.3395 |
| Heavy Atoms | 48 |
| Complexity | 1283.202 |
Chemical Identifiers
| CAS Number | 80801-26-9 |
|---|---|
| SMILES | CC/C(=C(\C(=O)N[C@@H](CO)C(=O)O)/NC(=O)[C@H](C)NC(=O)[C@@H]1CCC=NN1C(=O)[C@H]([C@H](C)N)NC(=O)[C@H](C)NC(=O)C(CO)(CO)N)/C |
Product Overview
Antrimycin (CAS 80801-26-9), with molecular formula C28H47N9O11 and molecular weight 685.34 g/mol. IUPAC: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methylpent-2-enoyl]amino]-3-hydroxypropanoic acid.
Chemical Property Profile of Antrimycin
Property Insights of Antrimycin
The XLogP value of -5.1514 indicates that Antrimycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 328.2 Ų indicates high polarity, suggesting Antrimycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antrimycin has 11 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antrimycin?
The CAS number of Antrimycin is 80801-26-9.
What is the molecular formula of Antrimycin?
The molecular formula of Antrimycin is C28H47N9O11.
What is the molecular weight of Antrimycin?
The molecular weight of Antrimycin is 685.34 g/mol.
Where can I buy Antrimycin?
You can request a quote for Antrimycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antrimycin?
Yes, KEHONG BIO provides custom synthesis services for Antrimycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.