BAS 04996113
TL;DR: BAS 04996113 (CAS 842964-36-7) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.21 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-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04996113, 2-imino-1-(3-methoxypropyl)-8-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 2.96459 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 1440.1635 |
Chemical Identifiers
| CAS Number | 842964-36-7 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NC(C)C4=CC=CC=C4)C=C1 |
Product Overview
BAS 04996113 (CAS 842964-36-7), with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol. IUPAC: 6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04996113
Property Insights of BAS 04996113
The XLogP value of 2.96459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996113. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996113. Following Lipinski's Rule of Five, BAS 04996113 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 04996113?
The CAS number of BAS 04996113 is 842964-36-7.
What is the molecular formula of BAS 04996113?
The molecular formula of BAS 04996113 is C25H27N5O3.
What is the molecular weight of BAS 04996113?
The molecular weight of BAS 04996113 is 445.21 g/mol.
Where can I buy BAS 04996113?
You can request a quote for BAS 04996113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996113?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.