AJ-292/41685861
TL;DR: AJ-292/41685861 (CAS 511513-88-5) is a chemical compound with molecular formula C27H29N3O5S and molecular weight 507.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(phenothiazine-10-carbonylamino)propyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
Also Known As: AJ-292/41685861, 2-methyl-2-[(10H-phenothiazin-10-ylcarbonyl)amino]propyl (1,3-dioxooctahydro-2H-isoindol-2-yl)acetate, [2-methyl-2-(phenothiazine-10-carbonylamino)propyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate, 2-methyl-2-(10H-phenothiazine-10-carboxamido)propyl 2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)acetate, 2-methyl-2-(phenothiazin-10-ylcarbonylamino)propyl 2-(1,3-dioxo-4,5,6,7,3a,7a- hexahydroisoindol-2-yl)acetate
| Molecular Formula | C27H29N3O5S |
|---|---|
| Molecular Weight | 507.18 g/mol |
| LogP | 4.4959 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.1828 |
| Heavy Atoms | 36 |
| Complexity | 1159.8948 |
Chemical Identifiers
| CAS Number | 511513-88-5 |
|---|---|
| SMILES | CC(C)(COC(=O)CN1C(=O)C2CCCCC2C1=O)NC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 |
Product Overview
AJ-292/41685861 (CAS 511513-88-5), with molecular formula C27H29N3O5S and molecular weight 507.18 g/mol. IUPAC: [2-methyl-2-(phenothiazine-10-carbonylamino)propyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate.
Chemical Property Profile of AJ-292/41685861
Property Insights of AJ-292/41685861
The XLogP value of 4.4959 indicates that AJ-292/41685861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/41685861. Following Lipinski's Rule of Five, AJ-292/41685861 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/41685861?
The CAS number of AJ-292/41685861 is 511513-88-5.
What is the molecular formula of AJ-292/41685861?
The molecular formula of AJ-292/41685861 is C27H29N3O5S.
What is the molecular weight of AJ-292/41685861?
The molecular weight of AJ-292/41685861 is 507.18 g/mol.
Where can I buy AJ-292/41685861?
You can request a quote for AJ-292/41685861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/41685861?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/41685861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.