BAS 13090581
TL;DR: BAS 13090581 (CAS 704872-15-1) is a chemical compound with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
Also Known As: BAS 13090581, A3678/0155985, (3,4-dimethoxyphenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone, 3,4-dimethoxyphenyl 1-phenylpyrrolo[2,1-c]piperazin-2-yl ketone, (3,4-dimethoxyphenyl)(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone
| Molecular Formula | C22H22N2O3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 3.7507 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.16306 |
| Heavy Atoms | 27 |
| Complexity | 949.20154 |
Chemical Identifiers
| CAS Number | 704872-15-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCN3C=CC=C3C2C4=CC=CC=C4)OC |
Product Overview
BAS 13090581 (CAS 704872-15-1), with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol. IUPAC: (3,4-dimethoxyphenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
Chemical Property Profile of BAS 13090581
Property Insights of BAS 13090581
The XLogP value of 3.7507 indicates that BAS 13090581 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, BAS 13090581 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13090581 has 0 hydrogen bond donor(s) and 3 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 BAS 13090581?
The CAS number of BAS 13090581 is 704872-15-1.
What is the molecular formula of BAS 13090581?
The molecular formula of BAS 13090581 is C22H22N2O3.
What is the molecular weight of BAS 13090581?
The molecular weight of BAS 13090581 is 362.16 g/mol.
Where can I buy BAS 13090581?
You can request a quote for BAS 13090581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13090581?
Yes, KEHONG BIO provides custom synthesis services for BAS 13090581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.