C22H25ClN8O2.ClH
TL;DR: C22H25ClN8O2.ClH (CAS 10554-09-3) is a chemical compound with molecular formula C22H26Cl2N8O2 and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2,4-diamino-6-[(3-anilino-2-chloropropyl)amino]pyrimidin-5-yl]diazenyl]benzoate;hydrochloride
Also Known As: Benzoic acid, 4-((2,4-diamino-6-(3-anilino-2-chloro)propylamino)pyrimidin-5-yl)azo-, ethyl ester, hydrochloride, ETHYL4-[2,4-DIAMINO-6-[[3-(ANILINO)-2-CHLOROPROPYL]AMINO]PYRIMIDIN-5-YL]DIAZENYLBENZOATE HYDROCHLORIDE, BENZOIC ACID, 4-((2,4-DIAMINO-6-(3-ANILINO-2-CHLORO)PROPYLAMINO)PYRIMIDIN-5-YL)A, Benzoic acid, p-[[2,6-diamino-4-[(3-anilino-2-chloropropyl)amino]-5-pyrimidinyl]azo]-, ethyl ester, monohydrochloride, ethyl 4-[[2,4-diamino-6-[(3-anilino-2-chloropropyl)amino]pyrimidin-5-yl]diazenyl]benzoate hydrochloride
| Molecular Formula | C22H26Cl2N8O2 |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 4.79 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 504.15558 |
| Heavy Atoms | 34 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 10554-09-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2NCC(CNC3=CC=CC=C3)Cl)N)N.Cl |
| InChIKey | BOVPLQLCENVCBE-UHFFFAOYSA-N |
Product Overview
C22H25ClN8O2.ClH (CAS 10554-09-3), with molecular formula C22H26Cl2N8O2 and molecular weight 504.16 g/mol. IUPAC: ethyl 4-[[2,4-diamino-6-[(3-anilino-2-chloropropyl)amino]pyrimidin-5-yl]diazenyl]benzoate;hydrochloride.
Chemical Property Profile of C22H25ClN8O2.ClH
Property Insights of C22H25ClN8O2.ClH
The XLogP value of 4.79 indicates that C22H25ClN8O2.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting C22H25ClN8O2.ClH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H25ClN8O2.ClH has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H25ClN8O2.ClH?
The CAS number of C22H25ClN8O2.ClH is 10554-09-3.
What is the molecular formula of C22H25ClN8O2.ClH?
The molecular formula of C22H25ClN8O2.ClH is C22H26Cl2N8O2.
What is the molecular weight of C22H25ClN8O2.ClH?
The molecular weight of C22H25ClN8O2.ClH is 504.16 g/mol.
Where can I buy C22H25ClN8O2.ClH?
You can request a quote for C22H25ClN8O2.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H25ClN8O2.ClH?
Yes, KEHONG BIO provides custom synthesis services for C22H25ClN8O2.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.