5-22-09-00323 (Beilstein Handbook Reference)
TL;DR: 5-22-09-00323 (Beilstein Handbook Reference) (CAS 54815-20-2) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,9-dimethoxy-2-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
Also Known As: 5-22-09-00323 (Beilstein Handbook Reference), Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-(((3-pyridinylmethyl)amino)carbonyl)-, 8,9-dimethoxy-2-[(pyridin-3-ylmethyl)carbamoyl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 8,9-dimethoxy-2-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 8,9-Dimethoxy-2-{[(pyridin-3-yl)methyl]carbamoyl}-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 54815-20-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN3C2=CC(=C3C(=O)O)C(=O)NCC4=CN=CC=C4)OC |
| InChIKey | KJXQCYSYTCGFRB-UHFFFAOYSA-N |
Product Overview
5-22-09-00323 (Beilstein Handbook Reference) (CAS 54815-20-2), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: 8,9-dimethoxy-2-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.
Chemical Property Profile of 5-22-09-00323 (Beilstein Handbook Reference)
Property Insights of 5-22-09-00323 (Beilstein Handbook Reference)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-22-09-00323 (Beilstein Handbook Reference). The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-22-09-00323 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-22-09-00323 (Beilstein Handbook Reference) has 2 hydrogen bond donor(s) and 6 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 5-22-09-00323 (Beilstein Handbook Reference)?
The CAS number of 5-22-09-00323 (Beilstein Handbook Reference) is 54815-20-2.
What is the molecular formula of 5-22-09-00323 (Beilstein Handbook Reference)?
The molecular formula of 5-22-09-00323 (Beilstein Handbook Reference) is C22H21N3O5.
What is the molecular weight of 5-22-09-00323 (Beilstein Handbook Reference)?
The molecular weight of 5-22-09-00323 (Beilstein Handbook Reference) is 407.15 g/mol.
Where can I buy 5-22-09-00323 (Beilstein Handbook Reference)?
You can request a quote for 5-22-09-00323 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-22-09-00323 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-22-09-00323 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.