abj879
TL;DR: abj879 (CAS 252981-48-9) is a chemical compound with molecular formula C27H41NO6S2 and molecular weight 539.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methylsulfanyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Also Known As: abj879, 4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-(methylthio)-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-, RefChem:108538
| Molecular Formula | C27H41NO6S2 |
|---|---|
| Molecular Weight | 539.24 g/mol |
| LogP | 4.891 |
| Topological Polar Surface Area | 109.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 539.23755 |
| Heavy Atoms | 36 |
| Complexity | 975.2201 |
Chemical Identifiers
| CAS Number | 252981-48-9 |
|---|---|
| SMILES | C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)SC)/C)C |
Product Overview
abj879 (CAS 252981-48-9), with molecular formula C27H41NO6S2 and molecular weight 539.24 g/mol. IUPAC: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methylsulfanyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione.
Chemical Property Profile of abj879
Property Insights of abj879
The XLogP value of 4.891 indicates that abj879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.25 Ų falls within the moderate polarity range, balancing permeability and solubility for abj879. Following Lipinski's Rule of Five, abj879 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of abj879?
The CAS number of abj879 is 252981-48-9.
What is the molecular formula of abj879?
The molecular formula of abj879 is C27H41NO6S2.
What is the molecular weight of abj879?
The molecular weight of abj879 is 539.24 g/mol.
Where can I buy abj879?
You can request a quote for abj879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for abj879?
Yes, KEHONG BIO provides custom synthesis services for abj879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.