RefChem:326413
TL;DR: RefChem:326413 (CAS 65907-33-7) is a chemical compound with molecular formula C22H34N2O5S and molecular weight 438.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate
Also Known As: Benzofuran, 2,3-dihydro-2,2-dimethyl-7-(N-(N-methyl-N-octyloxycarbonylaminothio)-N-methylcarbamoyloxy)-, (2,2-Dimethyl-3H-1-benzofuran-7-yl)n-methyl-N-[methyl(octoxycarbonyl)amino]sulfanylcarbamate, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl octyl sulfanediylbis(methylcarbamate), BENZOFURAN, 2,3-DIHYDRO-2,2-DIMETHYL-7-(N-(N-METHYL-N-OCTYLOXYCARBONYLAMINOTHIO), 2,3-Dihydro-2,2-dimethyl-7-[N-(N-methyl-N-octyloxycarbonylaminothio)-N-methylcarbamoyloxy]benzofuran
| Molecular Formula | C22H34N2O5S |
|---|---|
| Molecular Weight | 438.22 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 438.21884 |
| Heavy Atoms | 30 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 65907-33-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | COTNOASXKYDSLH-UHFFFAOYSA-N |
Product Overview
RefChem:326413 (CAS 65907-33-7), with molecular formula C22H34N2O5S and molecular weight 438.22 g/mol. IUPAC: octyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate.
Chemical Property Profile of RefChem:326413
Property Insights of RefChem:326413
The XLogP value of 6.9 indicates that RefChem:326413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326413. Following Lipinski's Rule of Five, RefChem:326413 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326413?
The CAS number of RefChem:326413 is 65907-33-7.
What is the molecular formula of RefChem:326413?
The molecular formula of RefChem:326413 is C22H34N2O5S.
What is the molecular weight of RefChem:326413?
The molecular weight of RefChem:326413 is 438.22 g/mol.
Where can I buy RefChem:326413?
You can request a quote for RefChem:326413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326413?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.