Ad 101
TL;DR: Ad 101 (CAS 306293-36-7) is a chemical compound with molecular formula C28H37F3N4O and molecular weight 502.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dimethyl-3-pyridinyl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone
Also Known As: Ad 101, AD101, SCH 350581, J1.655.044B, (2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
| Molecular Formula | C28H37F3N4O |
|---|---|
| Molecular Weight | 502.29 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.29193 |
| Heavy Atoms | 36 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 306293-36-7 |
|---|---|
| SMILES | C[C@H]1CN(CCN1[C@@H](C)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(C=CN=C4C)C)C |
| InChIKey | DTKUANPECHGGBY-UNMCSNQZSA-N |
Product Overview
Ad 101 (CAS 306293-36-7), with molecular formula C28H37F3N4O and molecular weight 502.29 g/mol. IUPAC: (2,4-dimethyl-3-pyridinyl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone.
Chemical Property Profile of Ad 101
Property Insights of Ad 101
The XLogP value of 4.9 indicates that Ad 101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.7 Ų, Ad 101 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ad 101 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ad 101?
The CAS number of Ad 101 is 306293-36-7.
What is the molecular formula of Ad 101?
The molecular formula of Ad 101 is C28H37F3N4O.
What is the molecular weight of Ad 101?
The molecular weight of Ad 101 is 502.29 g/mol.
Where can I buy Ad 101?
You can request a quote for Ad 101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ad 101?
Yes, KEHONG BIO provides custom synthesis services for Ad 101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.