![[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide structure](/static/products/370/370076-87-2.png)
[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
TL;DR: [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide (CAS 370076-87-2) is a chemical compound with molecular formula C16H17N7O4S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
Also Known As: [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide, (4-Isopropylamino-6-methoxy-[1,3,5]triazin-2-yl)-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiaz ol-2-ylmethyl)-cyanamide, [(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methyl][4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide, N-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-N-(4-(isopropylamino)-6-methoxy-1,3,5-triazin-2-yl)cyanamide, CID 1963766
| Molecular Formula | C16H17N7O4S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 0.79018 |
| Topological Polar Surface Area | 141.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.10626 |
| Heavy Atoms | 28 |
| Complexity | 1064.9027 |
Chemical Identifiers
| CAS Number | 370076-87-2 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)OC)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N |
Product Overview
[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide (CAS 370076-87-2), with molecular formula C16H17N7O4S and molecular weight 403.11 g/mol. IUPAC: [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide.
Chemical Property Profile of [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
Property Insights of [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
The XLogP value of 0.79018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide. The TPSA of 141.41 Ų indicates high polarity, suggesting [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide has 1 hydrogen bond donor(s) and 10 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 [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide?
The CAS number of [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide is 370076-87-2.
What is the molecular formula of [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide?
The molecular formula of [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide is C16H17N7O4S.
What is the molecular weight of [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide?
The molecular weight of [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide is 403.11 g/mol.
Where can I buy [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide?
You can request a quote for [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide?
Yes, KEHONG BIO provides custom synthesis services for [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.