RefChem:1079644
TL;DR: RefChem:1079644 (CAS 81862-03-5) is a chemical compound with molecular formula C19H31N3O10S2 and molecular weight 525.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-2-(dimethylamino)-N-[methyl-[[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methoxysulfinyl]carbamoyl]oxy-2-oxoethanimidothioate
Also Known As: beta-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, ((((2-(dimethylamino)-1-(methylthio)-2-oxoethylidene)amino)oxy)carbonyl)methylamidosulfite, B-D-FRUCTOPYRANOSE,2,3:4,5-BIS-O-(1-METHYLETHYLIDENE)-,[[[[2-(DIMETHYLAMINO)-1-(METHYLTHIO)-2-OXOETHYLIDENE]AMINO]OXY]CARBONYL]METHYLAMIDOSULFITE(9CI), RefChem:1079644
| Molecular Formula | C19H31N3O10S2 |
|---|---|
| Molecular Weight | 525.15 g/mol |
| LogP | 0.8129 |
| Topological Polar Surface Area | 134.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.1451 |
| Heavy Atoms | 34 |
| Complexity | 867.2653 |
Chemical Identifiers
| CAS Number | 81862-03-5 |
|---|---|
| SMILES | CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)N(C)C(=O)O/N=C(/C(=O)N(C)C)\SC)C |
Product Overview
RefChem:1079644 (CAS 81862-03-5), with molecular formula C19H31N3O10S2 and molecular weight 525.15 g/mol. IUPAC: methyl (1Z)-2-(dimethylamino)-N-[methyl-[[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methoxysulfinyl]carbamoyl]oxy-2-oxoethanimidothioate.
Chemical Property Profile of RefChem:1079644
Property Insights of RefChem:1079644
The XLogP value of 0.8129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079644. The TPSA of 134.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079644. Following Lipinski's Rule of Five, RefChem:1079644 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1079644?
The CAS number of RefChem:1079644 is 81862-03-5.
What is the molecular formula of RefChem:1079644?
The molecular formula of RefChem:1079644 is C19H31N3O10S2.
What is the molecular weight of RefChem:1079644?
The molecular weight of RefChem:1079644 is 525.15 g/mol.
Where can I buy RefChem:1079644?
You can request a quote for RefChem:1079644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.