RefChem:1077998
TL;DR: RefChem:1077998 (CAS 72593-14-7) is a chemical compound with molecular formula C23H25ClN4O and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide
Also Known As: 4-chloro-N-(2-[?]ylethyl)benzamide, Benzamide, 4-chloro-N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-, Benzamide, 4-chloro-N-[2-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)ethyl]-, RefChem:1077998, BRN 4722480
| Molecular Formula | C23H25ClN4O |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1717 |
| Heavy Atoms | 29 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 72593-14-7 |
|---|---|
| SMILES | C1CN2CC3=C(CC2CN1CCNC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5N3 |
| InChIKey | GFJPWEIFNJEGLO-UHFFFAOYSA-N |
Product Overview
RefChem:1077998 (CAS 72593-14-7), with molecular formula C23H25ClN4O and molecular weight 408.17 g/mol. IUPAC: 4-chloro-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide.
Chemical Property Profile of RefChem:1077998
Property Insights of RefChem:1077998
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1077998. With a topological polar surface area (TPSA) of 51.4 Ų, RefChem:1077998 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1077998 has 2 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 RefChem:1077998?
The CAS number of RefChem:1077998 is 72593-14-7.
What is the molecular formula of RefChem:1077998?
The molecular formula of RefChem:1077998 is C23H25ClN4O.
What is the molecular weight of RefChem:1077998?
The molecular weight of RefChem:1077998 is 408.17 g/mol.
Where can I buy RefChem:1077998?
You can request a quote for RefChem:1077998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.