Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester
TL;DR: Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester (CAS 79438-69-0) is a chemical compound with molecular formula C24H28N2O6S7 and molecular weight 664.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]heptasulfanyl]-N-methylcarbamate
Also Known As: Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl(di-n-butylaminosulfenyl)methylcarbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]heptasulfanyl]-N-methylcarbamate, Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) heptasulfane-1,7-diylbis(methylcarbamate), Carbamic acid,heptathiobis[methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester (9CI)
| Molecular Formula | C24H28N2O6S7 |
|---|---|
| Molecular Weight | 664.00 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 663.9992 |
| Heavy Atoms | 39 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 79438-69-0 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SSSSSSSN(C)C(=O)OC3=CC=CC4=C3OC(C4)(C)C)C |
| InChIKey | KXESUBUHFLEXHK-UHFFFAOYSA-N |
Product Overview
Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester (CAS 79438-69-0), with molecular formula C24H28N2O6S7 and molecular weight 664.00 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]heptasulfanyl]-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester
Property Insights of Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester
The XLogP value of 7.8 indicates that Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester?
The CAS number of Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester is 79438-69-0.
What is the molecular formula of Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester?
The molecular formula of Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester is C24H28N2O6S7.
What is the molecular weight of Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester?
The molecular weight of Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester is 664.00 g/mol.
Where can I buy Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester?
You can request a quote for Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, heptathiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.