AML1_004087
TL;DR: AML1_004087 (CAS 6052-98-8) is a chemical compound with molecular formula C31H45N3O7 and molecular weight 571.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[4-[6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl]butyl]carbamate
Also Known As: AML1_004087, benzyl N-[4-[6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl]butyl]carbamate, Benzyl [4-(6-{2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl}-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl)butyl]carbamate
| Molecular Formula | C31H45N3O7 |
|---|---|
| Molecular Weight | 571.33 g/mol |
| LogP | 3.621 |
| Topological Polar Surface Area | 134.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 571.32574 |
| Heavy Atoms | 41 |
| Complexity | 1000.6854 |
Chemical Identifiers
| CAS Number | 6052-98-8 |
|---|---|
| SMILES | C1CCC(=O)OCC(NC(=O)C(CC=CC1)CC(=O)N2CCCC2CO)CCCCNC(=O)OCC3=CC=CC=C3 |
Product Overview
AML1_004087 (CAS 6052-98-8), with molecular formula C31H45N3O7 and molecular weight 571.33 g/mol. IUPAC: benzyl N-[4-[6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl]butyl]carbamate.
Chemical Property Profile of AML1_004087
Property Insights of AML1_004087
The XLogP value of 3.621 indicates that AML1_004087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AML1_004087. Following Lipinski's Rule of Five, AML1_004087 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AML1_004087?
The CAS number of AML1_004087 is 6052-98-8.
What is the molecular formula of AML1_004087?
The molecular formula of AML1_004087 is C31H45N3O7.
What is the molecular weight of AML1_004087?
The molecular weight of AML1_004087 is 571.33 g/mol.
Where can I buy AML1_004087?
You can request a quote for AML1_004087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AML1_004087?
Yes, KEHONG BIO provides custom synthesis services for AML1_004087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.