5-24-04-00312 (Beilstein Handbook Reference)
TL;DR: 5-24-04-00312 (Beilstein Handbook Reference) (CAS 5545-99-3) is a chemical compound with molecular formula C23H19ClN2O3S and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(benzenesulfonyl)ethyl]-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: 5-24-04-00312 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(phenylsulfonyl)ethyl)-, 1,3-Dihydro-7-chloro-5-phenyl-1-(2-(phenylsulfonyl)ethyl)-2H-1,4-benzodiazepin-2-one, 7-chloro-5-phenyl-1-[2-(phenylsulfonyl)ethyl]-1,3-dihydro-2h-1,4-benzodiazepin-2-one, 1-[2-(benzenesulfonyl)ethyl]-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C23H19ClN2O3S |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.0805 |
| Heavy Atoms | 30 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 5545-99-3 |
|---|---|
| SMILES | C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCS(=O)(=O)C4=CC=CC=C4 |
| InChIKey | GFDSBVCWROITBQ-UHFFFAOYSA-N |
Product Overview
5-24-04-00312 (Beilstein Handbook Reference) (CAS 5545-99-3), with molecular formula C23H19ClN2O3S and molecular weight 438.08 g/mol. IUPAC: 1-[2-(benzenesulfonyl)ethyl]-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 5-24-04-00312 (Beilstein Handbook Reference)
Property Insights of 5-24-04-00312 (Beilstein Handbook Reference)
The XLogP value of 3.8 indicates that 5-24-04-00312 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-24-04-00312 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-24-04-00312 (Beilstein Handbook Reference) has 0 hydrogen bond donor(s) and 4 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 5-24-04-00312 (Beilstein Handbook Reference)?
The CAS number of 5-24-04-00312 (Beilstein Handbook Reference) is 5545-99-3.
What is the molecular formula of 5-24-04-00312 (Beilstein Handbook Reference)?
The molecular formula of 5-24-04-00312 (Beilstein Handbook Reference) is C23H19ClN2O3S.
What is the molecular weight of 5-24-04-00312 (Beilstein Handbook Reference)?
The molecular weight of 5-24-04-00312 (Beilstein Handbook Reference) is 438.08 g/mol.
Where can I buy 5-24-04-00312 (Beilstein Handbook Reference)?
You can request a quote for 5-24-04-00312 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-24-04-00312 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-24-04-00312 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.