Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate
TL;DR: Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate (CAS 37033-23-1) is a chemical compound with molecular formula C18H30N4O3S and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-6-ethylpyrimidine-2,4-diamine;ethanesulfonic acid
Also Known As: DAEP-ES, 5-(1-Adamantyl)-2,4-diamino-6-ethylpyrimidine ethylsulfonate, Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate, 5-(1-adamantyl)-6-ethylpyrimidine-2,4-diamine; ethanesulfonic acid, 5-(1-adamantyl)-6-ethylpyrimidine-2,4-diamine,ethanesulfonic
| Molecular Formula | C18H30N4O3S |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 2.57 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.20386 |
| Heavy Atoms | 26 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 37033-23-1 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C23CC4CC(C2)CC(C4)C3.CCS(=O)(=O)O |
| InChIKey | CXEAYXYFMJEELK-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate (CAS 37033-23-1), with molecular formula C18H30N4O3S and molecular weight 382.20 g/mol. IUPAC: 5-(1-adamantyl)-6-ethylpyrimidine-2,4-diamine;ethanesulfonic acid.
Chemical Property Profile of Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate
Property Insights of Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate
The XLogP value of 2.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate. The TPSA of 141.0 Ų indicates high polarity, suggesting Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate 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 Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate?
The CAS number of Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate is 37033-23-1.
What is the molecular formula of Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate?
The molecular formula of Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate is C18H30N4O3S.
What is the molecular weight of Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate?
The molecular weight of Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate is 382.20 g/mol.
Where can I buy Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate?
You can request a quote for Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-ethyl-, ethylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.