BAS 04995534
TL;DR: BAS 04995534 (CAS 370869-95-7) is a chemical compound with molecular formula C23H22N6O3 and molecular weight 430.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-2-oxo-N-(oxolan-2-ylmethyl)-7-(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 04995534, AS-871/41399247, 2-Imino-5-oxo-1-(pyridin-3-ylmethyl)-N-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide, 2-imino-5-oxo-1-(3-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C23H22N6O3 |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.17532 |
| Heavy Atoms | 32 |
| Complexity | 992.0 |
Chemical Identifiers
| CAS Number | 370869-95-7 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CN=CC=C5 |
| InChIKey | JOIKWPYTXDOQLL-UHFFFAOYSA-N |
Product Overview
BAS 04995534 (CAS 370869-95-7), with molecular formula C23H22N6O3 and molecular weight 430.18 g/mol. IUPAC: 6-imino-2-oxo-N-(oxolan-2-ylmethyl)-7-(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 04995534
Property Insights of BAS 04995534
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995534. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995534. Following Lipinski's Rule of Five, BAS 04995534 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 04995534?
The CAS number of BAS 04995534 is 370869-95-7.
What is the molecular formula of BAS 04995534?
The molecular formula of BAS 04995534 is C23H22N6O3.
What is the molecular weight of BAS 04995534?
The molecular weight of BAS 04995534 is 430.18 g/mol.
Where can I buy BAS 04995534?
You can request a quote for BAS 04995534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995534?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.