AJG-049 free base
TL;DR: AJG-049 free base (CAS 195991-49-2) is a chemical compound with molecular formula C27H30N2O2 and molecular weight 414.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[[(2R)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzoxazepine
Also Known As: AJG-049 free base, AJG049 free base, Dibenz(b,E)(1,4)oxazepine, 5,11-dihydro-5-(((2R)-1-(2-(4-methoxyphenyl)ethyl)-2-pyrrolidinyl)methyl)-, 5,11-Dihydro-5-(((2R)-1-(2-(4-methoxyphenyl)ethyl)-2-pyrrolidinyl)methyl)dibenz(b,E)(1,4)oxazepine, (r)-(+)-5,11-dihydro-5-[1-(4-methoxyphenethyl)-2-pyrrolidinylmethyl]dibenzo[b,e][1,4]oxazepine
| Molecular Formula | C27H30N2O2 |
|---|---|
| Molecular Weight | 414.23 g/mol |
| LogP | 5.4328 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.23074 |
| Heavy Atoms | 31 |
| Complexity | 970.2548 |
Chemical Identifiers
| CAS Number | 195991-49-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2CCC[C@@H]2CN3C4=CC=CC=C4COC5=CC=CC=C53 |
Product Overview
AJG-049 free base (CAS 195991-49-2), with molecular formula C27H30N2O2 and molecular weight 414.23 g/mol. IUPAC: 11-[[(2R)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzoxazepine.
Chemical Property Profile of AJG-049 free base
Property Insights of AJG-049 free base
The XLogP value of 5.4328 indicates that AJG-049 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.94 Ų, AJG-049 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJG-049 free base has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJG-049 free base?
The CAS number of AJG-049 free base is 195991-49-2.
What is the molecular formula of AJG-049 free base?
The molecular formula of AJG-049 free base is C27H30N2O2.
What is the molecular weight of AJG-049 free base?
The molecular weight of AJG-049 free base is 414.23 g/mol.
Where can I buy AJG-049 free base?
You can request a quote for AJG-049 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJG-049 free base?
Yes, KEHONG BIO provides custom synthesis services for AJG-049 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.