methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
TL;DR: methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate (CAS 83521-31-7) is a chemical compound with molecular formula C13H21N7O2 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]acetate
Also Known As: PMID27998201-Compound-1, BAS 00334387, BIM-0013717.P001, AB00094080-01, methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
| Molecular Formula | C13H21N7O2 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 0.97268 |
| Topological Polar Surface Area | 116.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.17566 |
| Heavy Atoms | 22 |
| Complexity | 525.5599 |
Chemical Identifiers
| CAS Number | 83521-31-7 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)C |
Product Overview
methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate (CAS 83521-31-7), with molecular formula C13H21N7O2 and molecular weight 307.18 g/mol. IUPAC: methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]acetate.
Chemical Property Profile of methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
Property Insights of methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
The XLogP value of 0.97268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate. The TPSA of 116.06 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate. Following Lipinski's Rule of Five, methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate has 2 hydrogen bond donor(s) and 9 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 methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate?
The CAS number of methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate is 83521-31-7.
What is the molecular formula of methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate?
The molecular formula of methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate is C13H21N7O2.
What is the molecular weight of methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate?
The molecular weight of methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate is 307.18 g/mol.
Where can I buy methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate?
You can request a quote for methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.