BAS 04996080
TL;DR: BAS 04996080 (CAS 842963-96-6) is a chemical compound with molecular formula C18H21N5O3 and molecular weight 355.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-(3-methoxypropyl)-N,13-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04996080, 2-imino-1-(3-methoxypropyl)-N,8-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C18H21N5O3 |
|---|---|
| Molecular Weight | 355.16 g/mol |
| LogP | 0.83319 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.16443 |
| Heavy Atoms | 26 |
| Complexity | 1113.686 |
Chemical Identifiers
| CAS Number | 842963-96-6 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NC)C=C1 |
Product Overview
BAS 04996080 (CAS 842963-96-6), with molecular formula C18H21N5O3 and molecular weight 355.16 g/mol. IUPAC: 6-imino-7-(3-methoxypropyl)-N,13-dimethyl-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 BAS 04996080
Property Insights of BAS 04996080
The XLogP value of 0.83319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996080. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996080. Following Lipinski's Rule of Five, BAS 04996080 has 2 hydrogen bond donor(s) and 5 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 04996080?
The CAS number of BAS 04996080 is 842963-96-6.
What is the molecular formula of BAS 04996080?
The molecular formula of BAS 04996080 is C18H21N5O3.
What is the molecular weight of BAS 04996080?
The molecular weight of BAS 04996080 is 355.16 g/mol.
Where can I buy BAS 04996080?
You can request a quote for BAS 04996080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996080?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.