RefChem:331675
TL;DR: RefChem:331675 (CAS 77248-44-3) is a chemical compound with molecular formula C20H23NO5S and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonylamino]methanesulfinate
Also Known As: 1-trimethylsilyl-2-methylbenzimidazole, ((2,6-Xylyl)sulfinyl)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, Carbamic acid, ((2,6-dimethylphenoxy)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(2,6-dimethylphenyl)sulfinylmethyl]carbamate, (2,6-dimethylphenyl) [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonylamino]methanesulfinate
| Molecular Formula | C20H23NO5S |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.1297 |
| Heavy Atoms | 27 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 77248-44-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OS(=O)CNC(=O)OC2=CC=CC3=C2OC(C3)(C)C |
| InChIKey | KJJFKUNWUUREDO-UHFFFAOYSA-N |
Product Overview
RefChem:331675 (CAS 77248-44-3), with molecular formula C20H23NO5S and molecular weight 389.13 g/mol. IUPAC: (2,6-dimethylphenyl) [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonylamino]methanesulfinate.
Chemical Property Profile of RefChem:331675
Property Insights of RefChem:331675
The XLogP value of 4.2 indicates that RefChem:331675 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331675. Following Lipinski's Rule of Five, RefChem:331675 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331675?
The CAS number of RefChem:331675 is 77248-44-3.
What is the molecular formula of RefChem:331675?
The molecular formula of RefChem:331675 is C20H23NO5S.
What is the molecular weight of RefChem:331675?
The molecular weight of RefChem:331675 is 389.13 g/mol.
Where can I buy RefChem:331675?
You can request a quote for RefChem:331675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331675?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.