RefChem:1071758
TL;DR: RefChem:1071758 (CAS 75017-25-3) is a chemical compound with molecular formula C22H21ClN2O5 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;9-chloro-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Also Known As: 4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-chloro-7-phenyl-, (Z)-2-butenedioate (1:1), 1,2,4,4a-Tetrahydro-9-chlor-7-phenyl-5H(1,4)oxazino(4,3-a)(1,4)benzodiazepin-maleinat [German], 1,2,4,4a-Tetrahydro-9-chlor-7-phenyl-5H(1,4)oxazino(4,3-a)(1,4)benzodiazepin-maleinat, (Z)-but-2-enedioic acid; 9-chloro-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine, RefChem:1071758
| Molecular Formula | C22H21ClN2O5 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 3.108 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.1139 |
| Heavy Atoms | 30 |
| Complexity | 958.7481 |
Chemical Identifiers
| CAS Number | 75017-25-3 |
|---|---|
| SMILES | C1COCC2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1071758 (CAS 75017-25-3), with molecular formula C22H21ClN2O5 and molecular weight 428.11 g/mol. IUPAC: (Z)-but-2-enedioic acid;9-chloro-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.
Chemical Property Profile of RefChem:1071758
Property Insights of RefChem:1071758
The XLogP value of 3.108 indicates that RefChem:1071758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.43 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071758. Following Lipinski's Rule of Five, RefChem:1071758 has 2 hydrogen bond donor(s) and 5 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 RefChem:1071758?
The CAS number of RefChem:1071758 is 75017-25-3.
What is the molecular formula of RefChem:1071758?
The molecular formula of RefChem:1071758 is C22H21ClN2O5.
What is the molecular weight of RefChem:1071758?
The molecular weight of RefChem:1071758 is 428.11 g/mol.
Where can I buy RefChem:1071758?
You can request a quote for RefChem:1071758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.