Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate)
TL;DR: Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) (CAS 73944-52-2) is a chemical compound with molecular formula C12H20Cl2N4O6S2 and molecular weight 450.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-chloroethyl(nitroso)carbamoyl]oxypropyldisulfanyl]propyl N-(2-chloroethyl)-N-nitrosocarbamate
Also Known As: DABIA, 4-Dimethylaminoazobenzene-4'-iodoacetamide, disulfanediyldipropane-3,1-diyl bis[(2-chloroethyl)nitrosocarbamate], Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate), disulfanediyldipropane-3,1-diyl bis[(2-chloroethyl)nitrosoca
| Molecular Formula | C12H20Cl2N4O6S2 |
|---|---|
| Molecular Weight | 450.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 450.02014 |
| Heavy Atoms | 26 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 73944-52-2 |
|---|---|
| SMILES | C(COC(=O)N(CCCl)N=O)CSSCCCOC(=O)N(CCCl)N=O |
| InChIKey | IACKYAGGLPHNLP-UHFFFAOYSA-N |
Product Overview
Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) (CAS 73944-52-2), with molecular formula C12H20Cl2N4O6S2 and molecular weight 450.02 g/mol. IUPAC: 3-[3-[2-chloroethyl(nitroso)carbamoyl]oxypropyldisulfanyl]propyl N-(2-chloroethyl)-N-nitrosocarbamate.
Chemical Property Profile of Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate)
Property Insights of Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate). The TPSA of 169.0 Ų indicates high polarity, suggesting Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) has 0 hydrogen bond donor(s) and 10 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 Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate)?
The CAS number of Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) is 73944-52-2.
What is the molecular formula of Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate)?
The molecular formula of Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) is C12H20Cl2N4O6S2.
What is the molecular weight of Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate)?
The molecular weight of Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) is 450.02 g/mol.
Where can I buy Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate)?
You can request a quote for Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Disulfanediyldipropane-3,1-diyl bis((2-chloroethyl)nitrosocarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.