RefChem:331648
TL;DR: RefChem:331648 (CAS 86627-80-7) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.18 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-butylphenyl)methoxysulfanylmethyl]carbamate
Also Known As: Carbamic acid, (((4-(1,1-dimethylethyl)phenyl)methoxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (p-tert-butylbenzyloxysulfenyl)(methyl)carbamate, (2,2-Dimethyl-3H-1-benzofuran-7-yl)n-[(4-tert-butylphenyl)methoxysulfanylmethyl]carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butylphenyl)methoxysulfanylmethyl]carbamate, CARBAMIC ACID, (((4-(1,1-DIMETHYLETHYL)PHENYL)METHOXY)THIO)METHYL-, 2,3-DIHYDRO-
| Molecular Formula | C23H29NO4S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.18173 |
| Heavy Atoms | 29 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 86627-80-7 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSOCC3=CC=C(C=C3)C(C)(C)C)C |
| InChIKey | GBZMRZGZUBIORL-UHFFFAOYSA-N |
Product Overview
RefChem:331648 (CAS 86627-80-7), with molecular formula C23H29NO4S and molecular weight 415.18 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butylphenyl)methoxysulfanylmethyl]carbamate.
Chemical Property Profile of RefChem:331648
Property Insights of RefChem:331648
The XLogP value of 5.9 indicates that RefChem:331648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331648. Following Lipinski's Rule of Five, RefChem:331648 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331648?
The CAS number of RefChem:331648 is 86627-80-7.
What is the molecular formula of RefChem:331648?
The molecular formula of RefChem:331648 is C23H29NO4S.
What is the molecular weight of RefChem:331648?
The molecular weight of RefChem:331648 is 415.18 g/mol.
Where can I buy RefChem:331648?
You can request a quote for RefChem:331648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331648?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.