1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea
TL;DR: 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea (CAS 25508-20-7) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[methylsulfanyl(phenylmethoxycarbonylamino)methylidene]carbamate
Also Known As: 1,3-Bis(benzyloxycarbonyl)-2-methyl-2-thiopseudourea, 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea, N,N'-diCBz-S-methylisothiourea, 1,3-Di-Cbz-2-Methylisothiourea, n,n'-bis(cbz)-s-methylisothiourea
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.9686 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 720.3706 |
Chemical Identifiers
| CAS Number | 25508-20-7 |
|---|---|
| SMILES | CSC(=NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
Product Overview
1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea (CAS 25508-20-7), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: benzyl N-[methylsulfanyl(phenylmethoxycarbonylamino)methylidene]carbamate.
Chemical Property Profile of 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea
Property Insights of 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea
The XLogP value of 3.9686 indicates that 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea. Following Lipinski's Rule of Five, 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea has 1 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 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea?
The CAS number of 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea is 25508-20-7.
What is the molecular formula of 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea?
The molecular formula of 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea is C18H18N2O4S.
What is the molecular weight of 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea?
The molecular weight of 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea is 358.10 g/mol.
Where can I buy 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea?
You can request a quote for 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.