AB00740930-01
TL;DR: AB00740930-01 (CAS 691371-68-3) is a chemical compound with molecular formula C18H13Cl3N2O2 and molecular weight 394.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(5-chloro-2-methylanilino)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
Also Known As: AB00740930-01, 3-Chloro-4-((5-chloro-2-methylphenyl)amino)-1-(4-chlorobenzyl)-1H-pyrrole-2,5-dione, 3-chloro-4-(5-chloro-2-methylanilino)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
| Molecular Formula | C18H13Cl3N2O2 |
|---|---|
| Molecular Weight | 394.00 g/mol |
| LogP | 4.73312 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.00427 |
| Heavy Atoms | 25 |
| Complexity | 891.6942 |
Chemical Identifiers
| CAS Number | 691371-68-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl |
Product Overview
AB00740930-01 (CAS 691371-68-3), with molecular formula C18H13Cl3N2O2 and molecular weight 394.00 g/mol. IUPAC: 3-chloro-4-(5-chloro-2-methylanilino)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione.
Chemical Property Profile of AB00740930-01
Property Insights of AB00740930-01
The XLogP value of 4.73312 indicates that AB00740930-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00740930-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00740930-01 has 1 hydrogen bond donor(s) and 3 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 AB00740930-01?
The CAS number of AB00740930-01 is 691371-68-3.
What is the molecular formula of AB00740930-01?
The molecular formula of AB00740930-01 is C18H13Cl3N2O2.
What is the molecular weight of AB00740930-01?
The molecular weight of AB00740930-01 is 394.00 g/mol.
Where can I buy AB00740930-01?
You can request a quote for AB00740930-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00740930-01?
Yes, KEHONG BIO provides custom synthesis services for AB00740930-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.