N,N-bis(2-chloroethyl)-carbamoyl chloride
TL;DR: N,N-bis(2-chloroethyl)-carbamoyl chloride (CAS 35212-68-1) is a chemical compound with molecular formula C26H33Cl2NO6 and molecular weight 525.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] N,N-bis(2-chloroethyl)carbamate
Also Known As: N,N-bis(2-chloroethyl)-carbamoyl chloride, [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] N,N-bis(2-chloroethyl)carbamate, 17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl bis(2-chloroethyl)carbamate, Pregna-1,4-diene-3,11,20-trione,17,21-dihydroxy-, 21-[bis(2-chloroethyl)carbamate] (7CI,8CI)
| Molecular Formula | C26H33Cl2NO6 |
|---|---|
| Molecular Weight | 525.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.1685 |
| Heavy Atoms | 35 |
| Complexity | 988.0 |
Chemical Identifiers
| CAS Number | 35212-68-1 |
|---|---|
| SMILES | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)N(CCCl)CCCl)O)CCC4=CC(=O)C=C[C@]34C |
| InChIKey | XTLLUVSNTBICAM-XLICDHNASA-N |
Product Overview
N,N-bis(2-chloroethyl)-carbamoyl chloride (CAS 35212-68-1), with molecular formula C26H33Cl2NO6 and molecular weight 525.17 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] N,N-bis(2-chloroethyl)carbamate.
Chemical Property Profile of N,N-bis(2-chloroethyl)-carbamoyl chloride
Property Insights of N,N-bis(2-chloroethyl)-carbamoyl chloride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-chloroethyl)-carbamoyl chloride. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(2-chloroethyl)-carbamoyl chloride. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-carbamoyl chloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-bis(2-chloroethyl)-carbamoyl chloride?
The CAS number of N,N-bis(2-chloroethyl)-carbamoyl chloride is 35212-68-1.
What is the molecular formula of N,N-bis(2-chloroethyl)-carbamoyl chloride?
The molecular formula of N,N-bis(2-chloroethyl)-carbamoyl chloride is C26H33Cl2NO6.
What is the molecular weight of N,N-bis(2-chloroethyl)-carbamoyl chloride?
The molecular weight of N,N-bis(2-chloroethyl)-carbamoyl chloride is 525.17 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-carbamoyl chloride?
You can request a quote for N,N-bis(2-chloroethyl)-carbamoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-chloroethyl)-carbamoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-carbamoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.