BAS 04996098
TL;DR: BAS 04996098 (CAS 842964-26-5) is a chemical compound with molecular formula C23H24N6O3 and molecular weight 432.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04996098, 2-imino-1-(3-methoxypropyl)-8-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-IMINO-1-(3-METHOXYPROPYL)-8-METHYL-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C23H24N6O3 |
|---|---|
| Molecular Weight | 432.19 g/mol |
| LogP | 1.79859 |
| Topological Polar Surface Area | 114.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.19098 |
| Heavy Atoms | 32 |
| Complexity | 1408.9436 |
Chemical Identifiers
| CAS Number | 842964-26-5 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NCC4=CN=CC=C4)C=C1 |
Product Overview
BAS 04996098 (CAS 842964-26-5), with molecular formula C23H24N6O3 and molecular weight 432.19 g/mol. IUPAC: 6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04996098
Property Insights of BAS 04996098
The XLogP value of 1.79859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996098. The TPSA of 114.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996098. Following Lipinski's Rule of Five, BAS 04996098 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 BAS 04996098?
The CAS number of BAS 04996098 is 842964-26-5.
What is the molecular formula of BAS 04996098?
The molecular formula of BAS 04996098 is C23H24N6O3.
What is the molecular weight of BAS 04996098?
The molecular weight of BAS 04996098 is 432.19 g/mol.
Where can I buy BAS 04996098?
You can request a quote for BAS 04996098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996098?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.