BAS 04996181
TL;DR: BAS 04996181 (CAS 797814-85-8) is a chemical compound with molecular formula C24H31N5O3 and molecular weight 437.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-7-(3-ethoxypropyl)-6-imino-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: BAS 04996181, F0919-3756, AS-871/41399589, N-cyclohexyl-1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-cyclohexyl-7-(3-ethoxypropyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
| Molecular Formula | C24H31N5O3 |
|---|---|
| Molecular Weight | 437.24 g/mol |
| LogP | 2.92619 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.24268 |
| Heavy Atoms | 32 |
| Complexity | 1254.4353 |
Chemical Identifiers
| CAS Number | 797814-85-8 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=N)C(=O)NC3CCCCC3)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
BAS 04996181 (CAS 797814-85-8), with molecular formula C24H31N5O3 and molecular weight 437.24 g/mol. IUPAC: N-cyclohexyl-7-(3-ethoxypropyl)-6-imino-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 BAS 04996181
Property Insights of BAS 04996181
The XLogP value of 2.92619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996181. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996181. Following Lipinski's Rule of Five, BAS 04996181 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 04996181?
The CAS number of BAS 04996181 is 797814-85-8.
What is the molecular formula of BAS 04996181?
The molecular formula of BAS 04996181 is C24H31N5O3.
What is the molecular weight of BAS 04996181?
The molecular weight of BAS 04996181 is 437.24 g/mol.
Where can I buy BAS 04996181?
You can request a quote for BAS 04996181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996181?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.