AB00804101-01
TL;DR: AB00804101-01 (CAS 797018-46-3) is a chemical compound with molecular formula C22H23N5O4 and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(furan-2-ylmethyl)-6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AB00804101-01, [1-(2-furylmethyl)-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d]pyridino[1,2-a]pyrimidin-3-yl)]-N-(3-methoxypropyl)carboxamide, [1-(2-furylmethyl)-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d]pyridino[ 1,2-a]pyrimidin-3-yl)]-N-(3-methoxypropyl)carboxamide, 1-(furan-2-ylmethyl)-2-imino-N-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(furan-2-ylmethyl)-2-imino-N-(3-methoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C22H23N5O4 |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 1.84469 |
| Topological Polar Surface Area | 114.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.17502 |
| Heavy Atoms | 31 |
| Complexity | 1368.932 |
Chemical Identifiers
| CAS Number | 797018-46-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NCCCOC |
Product Overview
AB00804101-01 (CAS 797018-46-3), with molecular formula C22H23N5O4 and molecular weight 421.18 g/mol. IUPAC: 7-(furan-2-ylmethyl)-6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AB00804101-01
Property Insights of AB00804101-01
The XLogP value of 1.84469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00804101-01. The TPSA of 114.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00804101-01. Following Lipinski's Rule of Five, AB00804101-01 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 AB00804101-01?
The CAS number of AB00804101-01 is 797018-46-3.
What is the molecular formula of AB00804101-01?
The molecular formula of AB00804101-01 is C22H23N5O4.
What is the molecular weight of AB00804101-01?
The molecular weight of AB00804101-01 is 421.18 g/mol.
Where can I buy AB00804101-01?
You can request a quote for AB00804101-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00804101-01?
Yes, KEHONG BIO provides custom synthesis services for AB00804101-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.