1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)-
TL;DR: 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- (CAS 5185-77-3) is a chemical compound with molecular formula C12H16AsCl2NS2 and molecular weight 382.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-(1,3,2-dithiarsolan-2-yl)aniline
Also Known As: 1,3,2-DITHIARSENOLANE, 2-(p-BIS(2-CHLOROETHYL)AMINOPHENYL)-, 2-(p-Bis(2-chloroethyl)aminophenyl)-1,3,2-dithiarsenolane, N,N-bis(2-chloroethyl)-4-(1,3,2-dithiarsolan-2-yl)aniline, Aniline, N,N-bis(2-chloroethyl)-p-1,3,2-dithiaarsolan-2-yl-, N,N-Bis(2-chloroethyl)-p-(1,3,2-dithiarsolan-2-yl)aniline
| Molecular Formula | C12H16AsCl2NS2 |
|---|---|
| Molecular Weight | 382.93 g/mol |
| LogP | 3.15 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.93173 |
| Heavy Atoms | 18 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5185-77-3 |
|---|---|
| SMILES | C1CS[As](S1)C2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | ADZGPJUBGGUXJG-UHFFFAOYSA-N |
Product Overview
1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- (CAS 5185-77-3), with molecular formula C12H16AsCl2NS2 and molecular weight 382.93 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-(1,3,2-dithiarsolan-2-yl)aniline.
Chemical Property Profile of 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)-
Property Insights of 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)-
The XLogP value of 3.15 indicates that 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- 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 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)-?
The CAS number of 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- is 5185-77-3.
What is the molecular formula of 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)-?
The molecular formula of 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- is C12H16AsCl2NS2.
What is the molecular weight of 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)-?
The molecular weight of 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- is 382.93 g/mol.
Where can I buy 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)-?
You can request a quote for 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Dithiarsenolane, 2-(p-bis(2-chloroethyl)aminophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.