Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine
TL;DR: Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine (CAS 67875-45-0) is a chemical compound with molecular formula C17H16Cl2N4O3 and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine
Also Known As: (C9-H6-N2-O2.C7-H10-N2.C-Cl2-O)x-, Carbonic dichloride, polymer with 1,3-diisocyanatomethylbenzene and ar-methylbenzenediamine, Carbonic dichloride, polymer with 1,3-diisocyanatomethylbenzene andar-methyl-1,3-benzenediamine, carbonyl dichloride; 1,3-diisocyanato-2-methylbenzene; 2-methylbenzene-1,3-diamine
| Molecular Formula | C17H16Cl2N4O3 |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 4.67304 |
| Topological Polar Surface Area | 127.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.05994 |
| Heavy Atoms | 26 |
| Complexity | 798.58167 |
Chemical Identifiers
| CAS Number | 67875-45-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1N)N.CC1=C(C=CC=C1N=C=O)N=C=O.C(=O)(Cl)Cl |
Product Overview
Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine (CAS 67875-45-0), with molecular formula C17H16Cl2N4O3 and molecular weight 394.06 g/mol. IUPAC: carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine.
Chemical Property Profile of Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine
Property Insights of Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine
The XLogP value of 4.67304 indicates that Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine. Following Lipinski's Rule of Five, Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine has 2 hydrogen bond donor(s) and 7 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 Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine?
The CAS number of Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine is 67875-45-0.
What is the molecular formula of Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine?
The molecular formula of Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine is C17H16Cl2N4O3.
What is the molecular weight of Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine?
The molecular weight of Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine is 394.06 g/mol.
Where can I buy Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine?
You can request a quote for Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for Carbonyl dichloride;1,3-diisocyanato-2-methylbenzene;2-methylbenzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.