A-349821 free base
TL;DR: A-349821 free base (CAS 372513-99-0) is a chemical compound with molecular formula C26H34N2O3 and molecular weight 422.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
Also Known As: A-349821 free base, 3-ALLYL-BENZOIC ACID ETHYL ESTER, J2.020.616K, A-349821, A-349,821
| Molecular Formula | C26H34N2O3 |
|---|---|
| Molecular Weight | 422.26 g/mol |
| LogP | 4.4677 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.25696 |
| Heavy Atoms | 31 |
| Complexity | 833.96075 |
Chemical Identifiers
| CAS Number | 372513-99-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](N1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCOCC4)C |
Product Overview
A-349821 free base (CAS 372513-99-0), with molecular formula C26H34N2O3 and molecular weight 422.26 g/mol. IUPAC: [4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone.
Chemical Property Profile of A-349821 free base
Property Insights of A-349821 free base
The XLogP value of 4.4677 indicates that A-349821 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, A-349821 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-349821 free base has 0 hydrogen bond donor(s) and 4 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 A-349821 free base?
The CAS number of A-349821 free base is 372513-99-0.
What is the molecular formula of A-349821 free base?
The molecular formula of A-349821 free base is C26H34N2O3.
What is the molecular weight of A-349821 free base?
The molecular weight of A-349821 free base is 422.26 g/mol.
Where can I buy A-349821 free base?
You can request a quote for A-349821 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-349821 free base?
Yes, KEHONG BIO provides custom synthesis services for A-349821 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.