1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide
TL;DR: 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide (CAS 78219-80-4) is a chemical compound with molecular formula C8H17Cl2N2OPS and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2λ5-oxazaphosphepan-2-amine
Also Known As: B 668, B-668, 2-(Bis(2-chloroethyl)amino)hexahydro-1,3,2-oxazaphosphepine 2-sulfide, N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2, 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide
| Molecular Formula | C8H17Cl2N2OPS |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 2.3905 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.01764 |
| Heavy Atoms | 15 |
| Complexity | 214.68721 |
Chemical Identifiers
| CAS Number | 78219-80-4 |
|---|---|
| SMILES | C1CCOP(=S)(NC1)N(CCCl)CCCl |
Product Overview
1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide (CAS 78219-80-4), with molecular formula C8H17Cl2N2OPS and molecular weight 290.02 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2λ5-oxazaphosphepan-2-amine.
Chemical Property Profile of 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide
Property Insights of 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide
The XLogP value of 2.3905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide. With a topological polar surface area (TPSA) of 24.5 Ų, 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide has 1 hydrogen bond donor(s) and 2 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-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide?
The CAS number of 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide is 78219-80-4.
What is the molecular formula of 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide?
The molecular formula of 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide is C8H17Cl2N2OPS.
What is the molecular weight of 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide?
The molecular weight of 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide is 290.02 g/mol.
Where can I buy 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide?
You can request a quote for 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide 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-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Oxazaphosphepine, hexahydro-2-(bis(2-chloroethyl)amino)-, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.