1,2-BmsClEt-NECH
TL;DR: 1,2-BmsClEt-NECH (CAS 221675-53-2) is a chemical compound with molecular formula C13H18ClN3O8S2 and molecular weight 443.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate
Also Known As: 1,2-BmsClEt-NECH, KS 119, SID:223258897, J1.127.263K, 1-(4-Nitrophenyl)ethyl 2-(2-chloroethyl)-1,2-bis(methylsulfonyl)hydrazinecarboxylate
| Molecular Formula | C13H18ClN3O8S2 |
|---|---|
| Molecular Weight | 443.02 g/mol |
| LogP | 1.4694 |
| Topological Polar Surface Area | 144.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.02237 |
| Heavy Atoms | 27 |
| Complexity | 901.9923 |
Chemical Identifiers
| CAS Number | 221675-53-2 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C |
Product Overview
1,2-BmsClEt-NECH (CAS 221675-53-2), with molecular formula C13H18ClN3O8S2 and molecular weight 443.02 g/mol. IUPAC: 1-(4-nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate.
Chemical Property Profile of 1,2-BmsClEt-NECH
Property Insights of 1,2-BmsClEt-NECH
The XLogP value of 1.4694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-BmsClEt-NECH. The TPSA of 144.2 Ų indicates high polarity, suggesting 1,2-BmsClEt-NECH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-BmsClEt-NECH has 0 hydrogen bond donor(s) and 8 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 1,2-BmsClEt-NECH?
The CAS number of 1,2-BmsClEt-NECH is 221675-53-2.
What is the molecular formula of 1,2-BmsClEt-NECH?
The molecular formula of 1,2-BmsClEt-NECH is C13H18ClN3O8S2.
What is the molecular weight of 1,2-BmsClEt-NECH?
The molecular weight of 1,2-BmsClEt-NECH is 443.02 g/mol.
Where can I buy 1,2-BmsClEt-NECH?
You can request a quote for 1,2-BmsClEt-NECH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-BmsClEt-NECH?
Yes, KEHONG BIO provides custom synthesis services for 1,2-BmsClEt-NECH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.