Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester
TL;DR: Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester (CAS 98099-18-4) is a chemical compound with molecular formula C15H24N2OS and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(3-methyl-2-pyridinyl)] N,N-dibutylcarbamothioate
Also Known As: Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester, S-(3-Methylpyridin-2-yl) dibutylcarbamothioate, N,N-dibutyl-1-(3-methylpyridin-2-yl)sulfanyl-formamide, S-(3-methylpyridin-2-yl) N,N-dibutylcarbamothioate
| Molecular Formula | C15H24N2OS |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.16095 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 98099-18-4 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)SC1=C(C=CC=N1)C |
| InChIKey | HJQFFFKCUQUZBX-UHFFFAOYSA-N |
Product Overview
Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester (CAS 98099-18-4), with molecular formula C15H24N2OS and molecular weight 280.16 g/mol. IUPAC: S-[(3-methyl-2-pyridinyl)] N,N-dibutylcarbamothioate.
Chemical Property Profile of Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester
Property Insights of Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester
The XLogP value of 4.4 indicates that Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.5 Ų, Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester has 0 hydrogen bond donor(s) and 3 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 Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester?
The CAS number of Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester is 98099-18-4.
What is the molecular formula of Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester?
The molecular formula of Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester is C15H24N2OS.
What is the molecular weight of Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester?
The molecular weight of Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester is 280.16 g/mol.
Where can I buy Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester?
You can request a quote for Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Cqarbamothioic acid, dibutyl-, S-(3-methylpyridinyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.