C19H28N8O2.2ClH.2H2O
TL;DR: C19H28N8O2.2ClH.2H2O (CAS 72017-55-1) is a chemical compound with molecular formula C19H26Cl2N8O2 and molecular weight 468.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-4-ium-1-yl]pyrimidin-5-yl]diazenyl]benzoate chloride
Also Known As: Benzoic acid, p-(6-(4-(2-chloroethyl)piperazinyl)-2,4-diamino-5-pyrimidinyl)azo-, ethyl ester, hydrochloride, dihydrate, ETHYL4-[2,4-DIAMINO-6-[4-(2-CHLOROETHYL)PIPERAZIN-4-IUM-1-YL]PYRIMIDIN-5-YL]DIAZENYLBENZOATE CHLORIDE, BENZOIC ACID, p-(6-(4-(2-CHLOROETHYL)PIPERAZINYL)-2,4-DIAMINO-5-PYRIMIDINYL)AZO-, Benzoic acid, 4-[[2,4-diamino-6-[4-(2-chloroethyl)-1-piperazinyl]-5-pyrimidinyl]azo]-, ethyl ester, dihydrochloride, dihydrate, ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-4-ium-1-yl]pyrimidin-5-yl]diazenyl]benzoate chloride
| Molecular Formula | C19H26Cl2N8O2 |
|---|---|
| Molecular Weight | 468.16 g/mol |
| LogP | -1.82 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.15558 |
| Heavy Atoms | 31 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 72017-55-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N3CC[NH+](CC3)CCCl)N)N.[Cl-] |
| InChIKey | JNVMWSXDXGEFJJ-UHFFFAOYSA-N |
Product Overview
C19H28N8O2.2ClH.2H2O (CAS 72017-55-1), with molecular formula C19H26Cl2N8O2 and molecular weight 468.16 g/mol. IUPAC: ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-4-ium-1-yl]pyrimidin-5-yl]diazenyl]benzoate chloride.
Chemical Property Profile of C19H28N8O2.2ClH.2H2O
Property Insights of C19H28N8O2.2ClH.2H2O
The XLogP value of -1.82 indicates that C19H28N8O2.2ClH.2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H28N8O2.2ClH.2H2O. Following Lipinski's Rule of Five, C19H28N8O2.2ClH.2H2O has 3 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 C19H28N8O2.2ClH.2H2O?
The CAS number of C19H28N8O2.2ClH.2H2O is 72017-55-1.
What is the molecular formula of C19H28N8O2.2ClH.2H2O?
The molecular formula of C19H28N8O2.2ClH.2H2O is C19H26Cl2N8O2.
What is the molecular weight of C19H28N8O2.2ClH.2H2O?
The molecular weight of C19H28N8O2.2ClH.2H2O is 468.16 g/mol.
Where can I buy C19H28N8O2.2ClH.2H2O?
You can request a quote for C19H28N8O2.2ClH.2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H28N8O2.2ClH.2H2O?
Yes, KEHONG BIO provides custom synthesis services for C19H28N8O2.2ClH.2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.