2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate
TL;DR: 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate (CAS 35507-78-9) is a chemical compound with molecular formula C17H28N4O3S and molecular weight 368.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-6-methylpyrimidine-2,4-diamine;ethanesulfonic acid
Also Known As: DAMP-ES, 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate, 5-(1-Adamantyl)-2,4-diamino-6-methylpyrimidine ethylsulfonate, 2,4-diamino-5-adamantyl-6-methyl-pyrimidineethanesulfonate, 2,4-Diamino-5-adamantyl-6-methylpyrimidine, ethanesulfonate
| Molecular Formula | C17H28N4O3S |
|---|---|
| Molecular Weight | 368.19 g/mol |
| LogP | 2.31 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.1882 |
| Heavy Atoms | 25 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 35507-78-9 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1=C(C(=NC(=N1)N)N)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | SSCSUZHOFNPPSA-UHFFFAOYSA-N |
Product Overview
2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate (CAS 35507-78-9), with molecular formula C17H28N4O3S and molecular weight 368.19 g/mol. IUPAC: 5-(1-adamantyl)-6-methylpyrimidine-2,4-diamine;ethanesulfonic acid.
Chemical Property Profile of 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate
Property Insights of 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate
The XLogP value of 2.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate. The TPSA of 141.0 Ų indicates high polarity, suggesting 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate has 3 hydrogen bond donor(s) and 7 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 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate?
The CAS number of 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate is 35507-78-9.
What is the molecular formula of 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate?
The molecular formula of 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate is C17H28N4O3S.
What is the molecular weight of 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate?
The molecular weight of 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate is 368.19 g/mol.
Where can I buy 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate?
You can request a quote for 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.