C8H10N6.ClH.1/2H2O
TL;DR: C8H10N6.ClH.1/2H2O (CAS 71680-77-8) is a chemical compound with molecular formula C8H11ClN6 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
Also Known As: C8H10N6.ClH.1/2H2O, C8-H10-N6.Cl-H.1/2H2-O, Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4)-2-propenyl-, hydrochloride, hydrate (2:2:1), 2-Amino-4-allylamino-pyrazolo(1,5-a)-s-triazine hydrochloride hemihydrate, N(sup 4)-2-Propenylpyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, hydrochloride hydrate (2:2:1)
| Molecular Formula | C8H11ClN6 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 0.7262 |
| Topological Polar Surface Area | 81.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.07338 |
| Heavy Atoms | 15 |
| Complexity | 465.09988 |
Chemical Identifiers
| CAS Number | 71680-77-8 |
|---|---|
| SMILES | C=CCNC1=NC(=NC2=CC=NN21)N.Cl |
Product Overview
C8H10N6.ClH.1/2H2O (CAS 71680-77-8), with molecular formula C8H11ClN6 and molecular weight 226.07 g/mol. IUPAC: 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.
Chemical Property Profile of C8H10N6.ClH.1/2H2O
Property Insights of C8H10N6.ClH.1/2H2O
The XLogP value of 0.7262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C8H10N6.ClH.1/2H2O. The TPSA of 81.13 Ų falls within the moderate polarity range, balancing permeability and solubility for C8H10N6.ClH.1/2H2O. Following Lipinski's Rule of Five, C8H10N6.ClH.1/2H2O has 2 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 C8H10N6.ClH.1/2H2O?
The CAS number of C8H10N6.ClH.1/2H2O is 71680-77-8.
What is the molecular formula of C8H10N6.ClH.1/2H2O?
The molecular formula of C8H10N6.ClH.1/2H2O is C8H11ClN6.
What is the molecular weight of C8H10N6.ClH.1/2H2O?
The molecular weight of C8H10N6.ClH.1/2H2O is 226.07 g/mol.
Where can I buy C8H10N6.ClH.1/2H2O?
You can request a quote for C8H10N6.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C8H10N6.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C8H10N6.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.