AB00668425-01
TL;DR: AB00668425-01 (CAS 533877-79-1) is a chemical compound with molecular formula C27H20ClFN2O3 and molecular weight 474.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(4-fluorophenyl)-4-(2-naphthalen-2-yloxyacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00668425-01, F0560-0596, 7-chloro-5-(4-fluorophenyl)-4-(2-(naphthalen-2-yloxy)acetyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 7-chloro-5-(4-fluorophenyl)-4-[2-(naphthalen-2-yloxy)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-chloro-5-(4-fluorophenyl)-4-(2-naphthalen-2-yloxyacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
| Molecular Formula | C27H20ClFN2O3 |
|---|---|
| Molecular Weight | 474.11 g/mol |
| LogP | 5.5814 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.11465 |
| Heavy Atoms | 34 |
| Complexity | 1390.5419 |
Chemical Identifiers
| CAS Number | 533877-79-1 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)COC3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)F |
Product Overview
AB00668425-01 (CAS 533877-79-1), with molecular formula C27H20ClFN2O3 and molecular weight 474.11 g/mol. IUPAC: 7-chloro-5-(4-fluorophenyl)-4-(2-naphthalen-2-yloxyacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00668425-01
Property Insights of AB00668425-01
The XLogP value of 5.5814 indicates that AB00668425-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00668425-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668425-01 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668425-01?
The CAS number of AB00668425-01 is 533877-79-1.
What is the molecular formula of AB00668425-01?
The molecular formula of AB00668425-01 is C27H20ClFN2O3.
What is the molecular weight of AB00668425-01?
The molecular weight of AB00668425-01 is 474.11 g/mol.
Where can I buy AB00668425-01?
You can request a quote for AB00668425-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668425-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668425-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.