Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-
TL;DR: Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- (CAS 23666-96-8) is a chemical compound with molecular formula C6H16Cl2N3OP and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(methylamino)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Also Known As: B 494, Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-, B494, N,N-Bis(2-chloroethyl)-N',N''-dimethyl phosphorotriamide, B-494
| Molecular Formula | C6H16Cl2N3OP |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.0408 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 23666-96-8 |
|---|---|
| SMILES | CNP(=O)(NC)N(CCCl)CCCl |
| InChIKey | BLIYLDFWKLERFT-UHFFFAOYSA-N |
Product Overview
Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- (CAS 23666-96-8), with molecular formula C6H16Cl2N3OP and molecular weight 247.04 g/mol. IUPAC: N-[bis(methylamino)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-
Property Insights of Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-. With a topological polar surface area (TPSA) of 44.4 Ų, Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- has 2 hydrogen bond donor(s) and 4 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 Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-?
The CAS number of Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- is 23666-96-8.
What is the molecular formula of Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-?
The molecular formula of Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- is C6H16Cl2N3OP.
What is the molecular weight of Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-?
The molecular weight of Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- is 247.04 g/mol.
Where can I buy Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-?
You can request a quote for Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.