RefChem:1077364
TL;DR: RefChem:1077364 (CAS 148864-94-2) is a chemical compound with molecular formula C57H79NO16 and molecular weight 1033.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5R,6S)-5-acetamido-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-3,11',13'-trimethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-22'-yl]methyl benzoate
Also Known As: (4''R)-4''-(Acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxyavermectin A1a, Avermectin A1a, 4''-(acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxy-, (4''R)-, RefChem:1077364
| Molecular Formula | C57H79NO16 |
|---|---|
| Molecular Weight | 1033.54 g/mol |
| LogP | 6.3583 |
| Topological Polar Surface Area | 205.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 1033.5399 |
| Heavy Atoms | 74 |
| Complexity | 2282.5525 |
Chemical Identifiers
| CAS Number | 148864-94-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)COC(=O)C6=CC=CC=C6)C(=O)O3)O)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@@H](O8)C)NC(=O)C)OC)OC)\C)C |
Product Overview
RefChem:1077364 (CAS 148864-94-2), with molecular formula C57H79NO16 and molecular weight 1033.54 g/mol. IUPAC: [(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5R,6S)-5-acetamido-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-3,11',13'-trimethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-22'-yl]methyl benzoate.
Chemical Property Profile of RefChem:1077364
Property Insights of RefChem:1077364
The XLogP value of 6.3583 indicates that RefChem:1077364 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.23 Ų indicates high polarity, suggesting RefChem:1077364 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077364 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1077364?
The CAS number of RefChem:1077364 is 148864-94-2.
What is the molecular formula of RefChem:1077364?
The molecular formula of RefChem:1077364 is C57H79NO16.
What is the molecular weight of RefChem:1077364?
The molecular weight of RefChem:1077364 is 1033.54 g/mol.
Where can I buy RefChem:1077364?
You can request a quote for RefChem:1077364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077364?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.