Apcin
TL;DR: Apcin (CAS 300815-04-7) is a chemical compound with molecular formula C13H14Cl3N7O4 and molecular weight 437.02 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-(pyrimidin-2-ylamino)ethyl]carbamate
Also Known As: Apcin, Apcin?, Apcin(nmr), Probes1_000324, Probes2_000474
| Molecular Formula | C13H14Cl3N7O4 |
|---|---|
| Molecular Weight | 437.02 g/mol |
| LogP | 2.42432 |
| Topological Polar Surface Area | 137.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.01727 |
| Heavy Atoms | 27 |
| Complexity | 796.95105 |
Chemical Identifiers
| CAS Number | 300815-04-7 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)NC(C(Cl)(Cl)Cl)NC2=NC=CC=N2)[N+](=O)[O-] |
Product Overview
Apcin (CAS 300815-04-7), with molecular formula C13H14Cl3N7O4 and molecular weight 437.02 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate.
Chemical Property Profile of Apcin
Property Insights of Apcin
The XLogP value of 2.42432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apcin. The TPSA of 137.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Apcin. Following Lipinski's Rule of Five, Apcin has 2 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 Apcin?
The CAS number of Apcin is 300815-04-7.
What is the molecular formula of Apcin?
The molecular formula of Apcin is C13H14Cl3N7O4.
What is the molecular weight of Apcin?
The molecular weight of Apcin is 437.02 g/mol.
Where can I buy Apcin?
You can request a quote for Apcin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apcin?
Yes, KEHONG BIO provides custom synthesis services for Apcin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.