RefChem:237238
TL;DR: RefChem:237238 (CAS 72004-13-8) is a chemical compound with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-1-benzazepine-2,5-dione
Also Known As: 5-23-03-00125 (Beilstein Handbook Reference), 1H-1-Benzazepine, 2,5-dihydro-7,8-dimethyl-2,5-dioxo-4-(4-methyl-1-piperazinomethyl)-, 4-(Methyl-1-piperazinomethyl)-2,5-dihydro-7,8-dimethyl-2,5-dioxobenz(f)azepine, 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-1-benzazepine-2,5-dione, 1H-1-Benzazepine-2,5-dione, 7,8-dimethyl-4-[(4-methyl-1-piperazinyl)methyl]-
| Molecular Formula | C18H23N3O2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.17902 |
| Heavy Atoms | 23 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 72004-13-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC(=O)C=C(C2=O)CN3CCN(CC3)C |
| InChIKey | SJYVHRXXCUSDJN-UHFFFAOYSA-N |
Product Overview
RefChem:237238 (CAS 72004-13-8), with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol. IUPAC: 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-1-benzazepine-2,5-dione.
Chemical Property Profile of RefChem:237238
Property Insights of RefChem:237238
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237238. With a topological polar surface area (TPSA) of 52.7 Ų, RefChem:237238 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237238 has 1 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 RefChem:237238?
The CAS number of RefChem:237238 is 72004-13-8.
What is the molecular formula of RefChem:237238?
The molecular formula of RefChem:237238 is C18H23N3O2.
What is the molecular weight of RefChem:237238?
The molecular weight of RefChem:237238 is 313.18 g/mol.
Where can I buy RefChem:237238?
You can request a quote for RefChem:237238 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237238?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237238 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.