Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester
TL;DR: Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester (CAS 77276-07-4) is a chemical compound with molecular formula C15H23NO4S2 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yloxyphenyl) N-butylsulfanylsulfinyl-N-methylcarbamate
Also Known As: Acetyl-CCK-7 (sulfated), 2-Isopropoxyphenyl (methyl)(n-butylthiosulfinyl)carbamate, 2-(1-Methylethoxy)phenyl ((butylthio)sulfinyl)methylcarbamate, Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester, (2-propan-2-yloxyphenyl) N-(butylsulfanylsulfinylmethyl)carbamate
| Molecular Formula | C15H23NO4S2 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 4.0164 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.10684 |
| Heavy Atoms | 22 |
| Complexity | 508.07074 |
Chemical Identifiers
| CAS Number | 77276-07-4 |
|---|---|
| SMILES | CCCCSS(=O)N(C)C(=O)OC1=CC=CC=C1OC(C)C |
Product Overview
Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester (CAS 77276-07-4), with molecular formula C15H23NO4S2 and molecular weight 345.11 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-butylsulfanylsulfinyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester
Property Insights of Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester
The XLogP value of 4.0164 indicates that Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester has 0 hydrogen bond donor(s) and 5 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 Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester?
The CAS number of Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester is 77276-07-4.
What is the molecular formula of Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester?
The molecular formula of Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester is C15H23NO4S2.
What is the molecular weight of Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester?
The molecular weight of Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester is 345.11 g/mol.
Where can I buy Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester?
You can request a quote for Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((butylthio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.