N,N-二乙基-4-异硫氰酸基戊-1-胺
TL;DR: N,N-二乙基-4-异硫氰酸基戊-1-胺 (CAS 104093-88-1) is a chemical compound with molecular formula C10H20N2S and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-二乙基-4-异硫氰酸基戊-1-胺
N,N-diethyl-4-isothiocyanatopentan-1-amine
Also Known As: 1-Pentanamine, N,N-diethyl-4-isothiocyanato-, N,N-diethyl-4-isothiocyanatopentan-1-amine
| Molecular Formula | C10H20N2S |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.13472 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 104093-88-1 |
|---|---|
| SMILES | CCN(CC)CCCC(C)N=C=S |
| InChIKey | GKXHNSJZBOXBSE-UHFFFAOYSA-N |
Product Overview
N,N-二乙基-4-异硫氰酸基戊-1-胺 (CAS 104093-88-1), with molecular formula C10H20N2S and molecular weight 200.13 g/mol. IUPAC: N,N-diethyl-4-isothiocyanatopentan-1-amine.
Chemical Property Profile of N,N-二乙基-4-异硫氰酸基戊-1-胺
Property Insights of N,N-二乙基-4-异硫氰酸基戊-1-胺
The XLogP value of 3.5 indicates that N,N-二乙基-4-异硫氰酸基戊-1-胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.7 Ų, N,N-二乙基-4-异硫氰酸基戊-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-二乙基-4-异硫氰酸基戊-1-胺 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 N,N-二乙基-4-异硫氰酸基戊-1-胺?
The CAS number of N,N-二乙基-4-异硫氰酸基戊-1-胺 is 104093-88-1.
What is the molecular formula of N,N-二乙基-4-异硫氰酸基戊-1-胺?
The molecular formula of N,N-二乙基-4-异硫氰酸基戊-1-胺 is C10H20N2S.
What is the molecular weight of N,N-二乙基-4-异硫氰酸基戊-1-胺?
The molecular weight of N,N-二乙基-4-异硫氰酸基戊-1-胺 is 200.13 g/mol.
Where can I buy N,N-二乙基-4-异硫氰酸基戊-1-胺?
You can request a quote for N,N-二乙基-4-异硫氰酸基戊-1-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-二乙基-4-异硫氰酸基戊-1-胺?
Yes, KEHONG BIO provides custom synthesis services for N,N-二乙基-4-异硫氰酸基戊-1-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.