RefChem:331645
TL;DR: RefChem:331645 (CAS 77248-47-6) is a chemical compound with molecular formula C22H29NO3S2 and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate
Also Known As: 3-Isopropylphenyl(methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate, Carbamic acid, (((4-((1,1-dimethylethyl)-2-methylphenyl)thio)sulfinyl)methyl)-, 3-(1-methylethyl)phenyl ester, (3-propan-2-ylphenyl) N-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate, (3-Propan-2-ylphenyl)n-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate, CARBAMIC ACID, (((4-((1,1-DIMETHYLETHYL)-2-METHYLPHENYL)THIO)SULFINYL)METHYL)-,
| Molecular Formula | C22H29NO3S2 |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.15887 |
| Heavy Atoms | 28 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 77248-47-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)C)SS(=O)CNC(=O)OC2=CC=CC(=C2)C(C)C |
| InChIKey | BAHFWFXONIVCAW-UHFFFAOYSA-N |
Product Overview
RefChem:331645 (CAS 77248-47-6), with molecular formula C22H29NO3S2 and molecular weight 419.16 g/mol. IUPAC: (3-propan-2-ylphenyl) N-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate.
Chemical Property Profile of RefChem:331645
Property Insights of RefChem:331645
The XLogP value of 6.0 indicates that RefChem:331645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331645. Following Lipinski's Rule of Five, RefChem:331645 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:331645?
The CAS number of RefChem:331645 is 77248-47-6.
What is the molecular formula of RefChem:331645?
The molecular formula of RefChem:331645 is C22H29NO3S2.
What is the molecular weight of RefChem:331645?
The molecular weight of RefChem:331645 is 419.16 g/mol.
Where can I buy RefChem:331645?
You can request a quote for RefChem:331645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331645?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.