UPCMLD0ENAT0504-1794:001
TL;DR: UPCMLD0ENAT0504-1794:001 (CAS 324039-82-9) is a chemical compound with molecular formula C21H17Cl2N3 and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-6-(4-chlorophenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
Also Known As: UPCMLD0ENAT0504-1794:001, 4-(2-chlorophenyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene, F0227-0280, 2-(2-chlorophenyl)-6-(4-chlorophenyl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene, 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
| Molecular Formula | C21H17Cl2N3 |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 6.1129 |
| Topological Polar Surface Area | 22.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.07996 |
| Heavy Atoms | 26 |
| Complexity | 1106.4464 |
Chemical Identifiers
| CAS Number | 324039-82-9 |
|---|---|
| SMILES | C1CCN2C3=C(C1)C(=CN3N=C2C4=CC=CC=C4Cl)C5=CC=C(C=C5)Cl |
Product Overview
UPCMLD0ENAT0504-1794:001 (CAS 324039-82-9), with molecular formula C21H17Cl2N3 and molecular weight 381.08 g/mol. IUPAC: 2-(2-chlorophenyl)-6-(4-chlorophenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.
Chemical Property Profile of UPCMLD0ENAT0504-1794:001
Property Insights of UPCMLD0ENAT0504-1794:001
The XLogP value of 6.1129 indicates that UPCMLD0ENAT0504-1794:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.23 Ų, UPCMLD0ENAT0504-1794:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0504-1794:001 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0504-1794:001?
The CAS number of UPCMLD0ENAT0504-1794:001 is 324039-82-9.
What is the molecular formula of UPCMLD0ENAT0504-1794:001?
The molecular formula of UPCMLD0ENAT0504-1794:001 is C21H17Cl2N3.
What is the molecular weight of UPCMLD0ENAT0504-1794:001?
The molecular weight of UPCMLD0ENAT0504-1794:001 is 381.08 g/mol.
Where can I buy UPCMLD0ENAT0504-1794:001?
You can request a quote for UPCMLD0ENAT0504-1794:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0504-1794:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0504-1794:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.