RefChem:331684
TL;DR: RefChem:331684 (CAS 50539-71-4) is a chemical compound with molecular formula C23H29NO3S and molecular weight 399.19 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-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate
Also Known As: Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-Dimethyl-3H-1-benzofuran-7-yl)n-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate, CARBAMIC ACID, ((4-(1,1-DIMETHYLETHYL)-2-METHYLPHENYL)THIO)METHYL-, 2,3-DIHYDRO-, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-tert-butyl-2-methylphenyl)sulfanyl]methyl}carbamate
| Molecular Formula | C23H29NO3S |
|---|---|
| Molecular Weight | 399.19 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.18683 |
| Heavy Atoms | 28 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 50539-71-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)C)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C |
| InChIKey | ATLXYWVNKKEMCS-UHFFFAOYSA-N |
Product Overview
RefChem:331684 (CAS 50539-71-4), with molecular formula C23H29NO3S and molecular weight 399.19 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate.
Chemical Property Profile of RefChem:331684
Property Insights of RefChem:331684
The XLogP value of 6.7 indicates that RefChem:331684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331684. Following Lipinski's Rule of Five, RefChem:331684 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331684?
The CAS number of RefChem:331684 is 50539-71-4.
What is the molecular formula of RefChem:331684?
The molecular formula of RefChem:331684 is C23H29NO3S.
What is the molecular weight of RefChem:331684?
The molecular weight of RefChem:331684 is 399.19 g/mol.
Where can I buy RefChem:331684?
You can request a quote for RefChem:331684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331684?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.