RefChem:1079641
TL;DR: RefChem:1079641 (CAS 81877-63-6) 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)-N-[[(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-yl]oxysulfinyl-methylcarbamoyl]oxy-2-(dimethylamino)-2-oxoethanimidothioate
Also Known As: beta-D-Fructopyranose, 1,2:4,5-bis-O-(1-methylethylidene)-, ((((2-(dimethylamino)-1-(methylthio)-2-oxoethylidene)amino)oxy)carbonyl)methylamidosulfite, RefChem:1079641
| 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 | 4 |
| Exact Mass | 525.1451 |
| Heavy Atoms | 34 |
| Complexity | 865.2653 |
Chemical Identifiers
| CAS Number | 81877-63-6 |
|---|---|
| SMILES | CC1(OC[C@]2(O1)[C@H]([C@H]3[C@@H](CO2)OC(O3)(C)C)OS(=O)N(C)C(=O)O/N=C(/C(=O)N(C)C)\SC)C |
Product Overview
RefChem:1079641 (CAS 81877-63-6), with molecular formula C19H31N3O10S2 and molecular weight 525.15 g/mol. IUPAC: methyl (1Z)-N-[[(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-yl]oxysulfinyl-methylcarbamoyl]oxy-2-(dimethylamino)-2-oxoethanimidothioate.
Chemical Property Profile of RefChem:1079641
Property Insights of RefChem:1079641
The XLogP value of 0.8129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079641. The TPSA of 134.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079641. Following Lipinski's Rule of Five, RefChem:1079641 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:1079641?
The CAS number of RefChem:1079641 is 81877-63-6.
What is the molecular formula of RefChem:1079641?
The molecular formula of RefChem:1079641 is C19H31N3O10S2.
What is the molecular weight of RefChem:1079641?
The molecular weight of RefChem:1079641 is 525.15 g/mol.
Where can I buy RefChem:1079641?
You can request a quote for RefChem:1079641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079641?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.