1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester
TL;DR: 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester (CAS 371118-84-2) is a chemical compound with molecular formula C16H14N4O3 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-imino-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester, METHYL 1-ALLYL-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE, methyl 1-allyl-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, methyl 2-imino-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, methyl 2-imino-5-oxo-1-prop-2-enyl-1,6-dihydropyridino[1,2-a]pyridino[2,3-d]py rimidine-3-carboxylate
| Molecular Formula | C16H14N4O3 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.1066 |
| Heavy Atoms | 23 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 371118-84-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC=C |
| InChIKey | LDEUTHZUSDFMCK-UHFFFAOYSA-N |
Product Overview
1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester (CAS 371118-84-2), with molecular formula C16H14N4O3 and molecular weight 310.11 g/mol. IUPAC: methyl 6-imino-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester
Property Insights of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester. Following Lipinski's Rule of Five, 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester has 1 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 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester?
The CAS number of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester is 371118-84-2.
What is the molecular formula of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester?
The molecular formula of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester is C16H14N4O3.
What is the molecular weight of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester?
The molecular weight of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester is 310.11 g/mol.
Where can I buy 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester?
You can request a quote for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triazaanthracene-3-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.