Pentrium
TL;DR: Pentrium (CAS 8056-60-8) is a chemical compound with molecular formula C21H22ClN7O13 and molecular weight 615.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
Also Known As: Pentrium, Chlordiazepoxide / Pentaerithrityl tetranitrate, Chlordiazepoxide mixture with Pentaerithrityl tetranitrate, 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate, 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester), mixt. with 7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
| Molecular Formula | C21H22ClN7O13 |
|---|---|
| Molecular Weight | 615.10 g/mol |
| LogP | 0.6552 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 615.09644 |
| Heavy Atoms | 42 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 8056-60-8 |
|---|---|
| SMILES | CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | KHUPNUOQMUBFBN-UHFFFAOYSA-N |
Product Overview
Pentrium (CAS 8056-60-8), with molecular formula C21H22ClN7O13 and molecular weight 615.10 g/mol. IUPAC: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate.
Chemical Property Profile of Pentrium
Property Insights of Pentrium
The XLogP value of 0.6552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentrium. The TPSA of 268.0 Ų indicates high polarity, suggesting Pentrium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentrium has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentrium?
The CAS number of Pentrium is 8056-60-8.
What is the molecular formula of Pentrium?
The molecular formula of Pentrium is C21H22ClN7O13.
What is the molecular weight of Pentrium?
The molecular weight of Pentrium is 615.10 g/mol.
Where can I buy Pentrium?
You can request a quote for Pentrium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentrium?
Yes, KEHONG BIO provides custom synthesis services for Pentrium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.