Neoantimycin, methyl ester
TL;DR: Neoantimycin, methyl ester (CAS 22862-64-2) is a chemical compound with molecular formula C37H48N2O12 and molecular weight 712.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxybenzamide
Also Known As: Neoantimycin, methyl ester, N- -3-formylamino-2-methoxybenzamide, o-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-, N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxybenzamide, N-[15-Benzyl-10-(butan-2-yl)-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-(propan-2-yl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-methoxybenzamide
| Molecular Formula | C37H48N2O12 |
|---|---|
| Molecular Weight | 712.32 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 712.32074 |
| Heavy Atoms | 51 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 22862-64-2 |
|---|---|
| SMILES | CCC(C)C1C(=O)OC(C(C(=O)OC(C(=O)OC(C(C(C(=O)O1)(C)C)O)CC2=CC=CC=C2)C(C)C)NC(=O)C3=C(C(=CC=C3)NC=O)OC)C |
| InChIKey | MGPKGXHFCPPKBE-UHFFFAOYSA-N |
Product Overview
Neoantimycin, methyl ester (CAS 22862-64-2), with molecular formula C37H48N2O12 and molecular weight 712.32 g/mol. IUPAC: N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxybenzamide.
Chemical Property Profile of Neoantimycin, methyl ester
Property Insights of Neoantimycin, methyl ester
The XLogP value of 5.6 indicates that Neoantimycin, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting Neoantimycin, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neoantimycin, methyl ester has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neoantimycin, methyl ester?
The CAS number of Neoantimycin, methyl ester is 22862-64-2.
What is the molecular formula of Neoantimycin, methyl ester?
The molecular formula of Neoantimycin, methyl ester is C37H48N2O12.
What is the molecular weight of Neoantimycin, methyl ester?
The molecular weight of Neoantimycin, methyl ester is 712.32 g/mol.
Where can I buy Neoantimycin, methyl ester?
You can request a quote for Neoantimycin, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoantimycin, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Neoantimycin, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.