Brn 4241556
TL;DR: Brn 4241556 (CAS 126164-76-9) is a chemical compound with molecular formula C70H87N3O18 and molecular weight 1257.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(phenylcarbamoyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(phenylcarbamoyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(phenylcarbamoyl)oxan-4-yl] acetate
Also Known As: alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-11,29-dioxo-29-(phenylamino)olean-12-en-3-ylN-phenyl-2-O-(2,3,4-tri-O-acetyl-N-phenyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate, BRN 4241556, RefChem:1080142
| Molecular Formula | C70H87N3O18 |
|---|---|
| Molecular Weight | 1257.60 g/mol |
| LogP | 9.7619 |
| Topological Polar Surface Area | 272.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Exact Mass | 1257.5985 |
| Heavy Atoms | 91 |
| Complexity | 3324.6167 |
Chemical Identifiers
| CAS Number | 126164-76-9 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)NC2=CC=CC=C2)OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5C(=O)C=C7C6(CCC8(C7CC(CC8)(C)C(=O)NC9=CC=CC=C9)C)C)C)C)C(=O)NC1=CC=CC=C1)OC(=O)C)OC(=O)C |
Product Overview
Brn 4241556 (CAS 126164-76-9), with molecular formula C70H87N3O18 and molecular weight 1257.60 g/mol. IUPAC: [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(phenylcarbamoyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(phenylcarbamoyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(phenylcarbamoyl)oxan-4-yl] acetate.
Chemical Property Profile of Brn 4241556
Property Insights of Brn 4241556
The XLogP value of 9.7619 indicates that Brn 4241556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 272.79 Ų indicates high polarity, suggesting Brn 4241556 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brn 4241556 has 3 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 Brn 4241556?
The CAS number of Brn 4241556 is 126164-76-9.
What is the molecular formula of Brn 4241556?
The molecular formula of Brn 4241556 is C70H87N3O18.
What is the molecular weight of Brn 4241556?
The molecular weight of Brn 4241556 is 1257.60 g/mol.
Where can I buy Brn 4241556?
You can request a quote for Brn 4241556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brn 4241556?
Yes, KEHONG BIO provides custom synthesis services for Brn 4241556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.