Brn 4242351
TL;DR: Brn 4242351 (CAS 126145-75-3) is a chemical compound with molecular formula C103H177N3O18 and molecular weight 1744.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(heptadecylcarbamoyl)-2-[[11-(heptadecylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(heptadecylcarbamoyl)oxan-4-yl] acetate
Also Known As: alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(heptadecylamino)-11,29-dioxoolean-12-en-3-yl N-heptadecyl-2-O-(2,3,4-tri-O-acetyl-N-heptadecyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate, BRN 4242351, RefChem:1080143
| Molecular Formula | C103H177N3O18 |
|---|---|
| Molecular Weight | 1744.30 g/mol |
| LogP | 22.8086 |
| Topological Polar Surface Area | 272.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 60 |
| Exact Mass | 1744.3027 |
| Heavy Atoms | 124 |
| Complexity | 3269.4734 |
Chemical Identifiers
| CAS Number | 126145-75-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCNC(=O)C1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4C(=O)C=C6C5(CCC7(C6CC(CC7)(C)C(=O)NCCCCCCCCCCCCCCCCC)C)C)C)C)C(=O)NCCCCCCCCCCCCCCCCC)OC(=O)C)OC(=O)C |
Product Overview
Brn 4242351 (CAS 126145-75-3), with molecular formula C103H177N3O18 and molecular weight 1744.30 g/mol. IUPAC: [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(heptadecylcarbamoyl)-2-[[11-(heptadecylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(heptadecylcarbamoyl)oxan-4-yl] acetate.
Chemical Property Profile of Brn 4242351
Property Insights of Brn 4242351
The XLogP value of 22.8086 indicates that Brn 4242351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 272.79 Ų indicates high polarity, suggesting Brn 4242351 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brn 4242351 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 4242351?
The CAS number of Brn 4242351 is 126145-75-3.
What is the molecular formula of Brn 4242351?
The molecular formula of Brn 4242351 is C103H177N3O18.
What is the molecular weight of Brn 4242351?
The molecular weight of Brn 4242351 is 1744.30 g/mol.
Where can I buy Brn 4242351?
You can request a quote for Brn 4242351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brn 4242351?
Yes, KEHONG BIO provides custom synthesis services for Brn 4242351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.