A4079/0173813
TL;DR: A4079/0173813 (CAS 893768-10-0) is a chemical compound with molecular formula C23H23ClN2O and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methylphenyl)-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)methanone
Also Known As: A4079/0173813, (3-chloro-4-methylphenyl)(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)methanone, (3-chloro-4-methylphenyl)(8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)methanone, 3-(3-chloro-4-methylbenzoyl)-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
| Molecular Formula | C23H23ClN2O |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 5.44494 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 378.1499 |
| Heavy Atoms | 27 |
| Complexity | 1081.6621 |
Chemical Identifiers
| CAS Number | 893768-10-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C(=O)C5=CC(=C(C=C5)C)Cl |
Product Overview
A4079/0173813 (CAS 893768-10-0), with molecular formula C23H23ClN2O and molecular weight 378.15 g/mol. IUPAC: (3-chloro-4-methylphenyl)-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)methanone.
Chemical Property Profile of A4079/0173813
Property Insights of A4079/0173813
The XLogP value of 5.44494 indicates that A4079/0173813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, A4079/0173813 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4079/0173813 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4079/0173813?
The CAS number of A4079/0173813 is 893768-10-0.
What is the molecular formula of A4079/0173813?
The molecular formula of A4079/0173813 is C23H23ClN2O.
What is the molecular weight of A4079/0173813?
The molecular weight of A4079/0173813 is 378.15 g/mol.
Where can I buy A4079/0173813?
You can request a quote for A4079/0173813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4079/0173813?
Yes, KEHONG BIO provides custom synthesis services for A4079/0173813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.