1,1-Bis(2-chloroethyl)-3-heptylthiourea
TL;DR: 1,1-Bis(2-chloroethyl)-3-heptylthiourea (CAS 91692-22-7) is a chemical compound with molecular formula C12H24Cl2N2S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2-chloroethyl)-3-heptylthiourea
Also Known As: 1,1-bis(2-chloroethyl)-3-heptylthiourea, N,N-Bis(2-chloroethyl)-N'-heptylthiourea
| Molecular Formula | C12H24Cl2N2S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.6109 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Exact Mass | 298.10373 |
| Heavy Atoms | 17 |
| Complexity | 185.34444 |
Chemical Identifiers
| CAS Number | 91692-22-7 |
|---|---|
| SMILES | CCCCCCCNC(=S)N(CCCl)CCCl |
Product Overview
1,1-Bis(2-chloroethyl)-3-heptylthiourea (CAS 91692-22-7), with molecular formula C12H24Cl2N2S and molecular weight 298.10 g/mol. IUPAC: 1,1-bis(2-chloroethyl)-3-heptylthiourea.
Chemical Property Profile of 1,1-Bis(2-chloroethyl)-3-heptylthiourea
Property Insights of 1,1-Bis(2-chloroethyl)-3-heptylthiourea
The XLogP value of 3.6109 indicates that 1,1-Bis(2-chloroethyl)-3-heptylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 1,1-Bis(2-chloroethyl)-3-heptylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(2-chloroethyl)-3-heptylthiourea has 1 hydrogen bond donor(s) and 1 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 1,1-Bis(2-chloroethyl)-3-heptylthiourea?
The CAS number of 1,1-Bis(2-chloroethyl)-3-heptylthiourea is 91692-22-7.
What is the molecular formula of 1,1-Bis(2-chloroethyl)-3-heptylthiourea?
The molecular formula of 1,1-Bis(2-chloroethyl)-3-heptylthiourea is C12H24Cl2N2S.
What is the molecular weight of 1,1-Bis(2-chloroethyl)-3-heptylthiourea?
The molecular weight of 1,1-Bis(2-chloroethyl)-3-heptylthiourea is 298.10 g/mol.
Where can I buy 1,1-Bis(2-chloroethyl)-3-heptylthiourea?
You can request a quote for 1,1-Bis(2-chloroethyl)-3-heptylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(2-chloroethyl)-3-heptylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(2-chloroethyl)-3-heptylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.