BAS 04995445
TL;DR: BAS 04995445 (CAS 488716-91-2) is a chemical compound with molecular formula C16H13N5O and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: BAS 04995445, AF-399/41399350, 1-ALLYL-2-IMINO-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE, 1-allyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbonitrile, 1-allyl-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C16H13N5O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.112 |
| Heavy Atoms | 22 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 488716-91-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC=C)C#N |
| InChIKey | FTOJXGVLWXBTHD-UHFFFAOYSA-N |
Product Overview
BAS 04995445 (CAS 488716-91-2), with molecular formula C16H13N5O and molecular weight 291.11 g/mol. IUPAC: 6-imino-11-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of BAS 04995445
Property Insights of BAS 04995445
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995445. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995445. Following Lipinski's Rule of Five, BAS 04995445 has 1 hydrogen bond donor(s) and 4 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 04995445?
The CAS number of BAS 04995445 is 488716-91-2.
What is the molecular formula of BAS 04995445?
The molecular formula of BAS 04995445 is C16H13N5O.
What is the molecular weight of BAS 04995445?
The molecular weight of BAS 04995445 is 291.11 g/mol.
Where can I buy BAS 04995445?
You can request a quote for BAS 04995445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995445?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.