RefChem:123451
TL;DR: RefChem:123451 (CAS 62812-90-2) is a chemical compound with molecular formula C13H22N2OS2 and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;(4-hydroxyphenyl)carbamodithioic acid
Also Known As: (4-Hydroxyphenyl)dithiocarbamic acid, triethylamine salt, Carbamodithioic acid, (4-hydroxyphenyl)-, compd. with N,N-diethylethanamine (1:1), Carbamodithioic acid, N-(4-hydroxyphenyl)-, compd. with N,N-diethylethanamine (1:1), (4-Hydroxyphenyl)dithiocarbamic acid,triethylamine salt, N,N-diethylethanamine,(4-hydroxyphenyl)carbamodithioic acid
| Molecular Formula | C13H22N2OS2 |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 3.3669 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.11737 |
| Heavy Atoms | 18 |
| Complexity | 331.83963 |
Chemical Identifiers
| CAS Number | 62812-90-2 |
|---|---|
| SMILES | CCN(CC)CC.C1=CC(=CC=C1NC(=S)S)O |
Product Overview
RefChem:123451 (CAS 62812-90-2), with molecular formula C13H22N2OS2 and molecular weight 286.12 g/mol. IUPAC: N,N-diethylethanamine;(4-hydroxyphenyl)carbamodithioic acid.
Chemical Property Profile of RefChem:123451
Property Insights of RefChem:123451
The XLogP value of 3.3669 indicates that RefChem:123451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, RefChem:123451 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:123451 has 3 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 RefChem:123451?
The CAS number of RefChem:123451 is 62812-90-2.
What is the molecular formula of RefChem:123451?
The molecular formula of RefChem:123451 is C13H22N2OS2.
What is the molecular weight of RefChem:123451?
The molecular weight of RefChem:123451 is 286.12 g/mol.
Where can I buy RefChem:123451?
You can request a quote for RefChem:123451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:123451?
Yes, KEHONG BIO provides custom synthesis services for RefChem:123451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.