UPCMLD0ENAT0506-3621:001
TL;DR: UPCMLD0ENAT0506-3621:001 (CAS 301157-40-4) is a chemical compound with molecular formula C16H18Cl3N5O4 and molecular weight 449.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-[2,2,2-trichloro-1-(2-methylanilino)ethyl]carbamate
Also Known As: UPCMLD0ENAT0506-3621:001, 2-{5-nitro-2-methyl-1H-imidazol-1-yl}ethyl 2,2,2-trichloro-1-(2-toluidino)ethylcarbamate, (2,2,2-Trichloro-1-o-tolylamino-ethyl)-carbamic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2,2,2-trichloro-1-(o-tolylamino)ethyl)carbamate, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl {2,2,2-trichloro-1-[(2-methylphenyl)amino]ethyl}carbamate
| Molecular Formula | C16H18Cl3N5O4 |
|---|---|
| Molecular Weight | 449.04 g/mol |
| LogP | 3.94274 |
| Topological Polar Surface Area | 111.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.04245 |
| Heavy Atoms | 28 |
| Complexity | 853.04553 |
Chemical Identifiers
| CAS Number | 301157-40-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(C(Cl)(Cl)Cl)NC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C |
Product Overview
UPCMLD0ENAT0506-3621:001 (CAS 301157-40-4), with molecular formula C16H18Cl3N5O4 and molecular weight 449.04 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-[2,2,2-trichloro-1-(2-methylanilino)ethyl]carbamate.
Chemical Property Profile of UPCMLD0ENAT0506-3621:001
Property Insights of UPCMLD0ENAT0506-3621:001
The XLogP value of 3.94274 indicates that UPCMLD0ENAT0506-3621:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.32 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0506-3621:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0506-3621:001 has 2 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT0506-3621:001?
The CAS number of UPCMLD0ENAT0506-3621:001 is 301157-40-4.
What is the molecular formula of UPCMLD0ENAT0506-3621:001?
The molecular formula of UPCMLD0ENAT0506-3621:001 is C16H18Cl3N5O4.
What is the molecular weight of UPCMLD0ENAT0506-3621:001?
The molecular weight of UPCMLD0ENAT0506-3621:001 is 449.04 g/mol.
Where can I buy UPCMLD0ENAT0506-3621:001?
You can request a quote for UPCMLD0ENAT0506-3621:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0506-3621:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0506-3621:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.