C23H35ClN8O2.ClH.3/2H2O
TL;DR: C23H35ClN8O2.ClH.3/2H2O (CAS 19581-16-9) is a chemical compound with molecular formula C23H36Cl2N8O2 and molecular weight 526.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]diazenyl]benzoate;hydrochloride
Also Known As: C23H35ClN8O2.ClH.3/2H2O, C23-H35-Cl-N8-O2.Cl-H.3/2H2-O, Benzoic acid, p-((2,4-diamino-6-((6-((2-chloroethyl)ethylamino)hexyl)amino)-5-pyrimidinyl)azo)-, ethyl ester, hydrochloride, hydrate (2:2:3), Ethyl4-[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]diazenylbenzoate hydrochloride, BENZOIC ACID, p-((2,4-DIAMINO-6-((6-((2-CHLOROETHYL)ETHYLAMINO)HEXYL)AMINO)-5-PY
| Molecular Formula | C23H36Cl2N8O2 |
|---|---|
| Molecular Weight | 526.23 g/mol |
| LogP | 5.19 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 526.2338 |
| Heavy Atoms | 35 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 19581-16-9 |
|---|---|
| SMILES | CCN(CCCCCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl.Cl |
| InChIKey | ASEFZQLXLXPSHD-UHFFFAOYSA-N |
Product Overview
C23H35ClN8O2.ClH.3/2H2O (CAS 19581-16-9), with molecular formula C23H36Cl2N8O2 and molecular weight 526.23 g/mol. IUPAC: ethyl 4-[[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]diazenyl]benzoate;hydrochloride.
Chemical Property Profile of C23H35ClN8O2.ClH.3/2H2O
Property Insights of C23H35ClN8O2.ClH.3/2H2O
The XLogP value of 5.19 indicates that C23H35ClN8O2.ClH.3/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting C23H35ClN8O2.ClH.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H35ClN8O2.ClH.3/2H2O has 4 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 C23H35ClN8O2.ClH.3/2H2O?
The CAS number of C23H35ClN8O2.ClH.3/2H2O is 19581-16-9.
What is the molecular formula of C23H35ClN8O2.ClH.3/2H2O?
The molecular formula of C23H35ClN8O2.ClH.3/2H2O is C23H36Cl2N8O2.
What is the molecular weight of C23H35ClN8O2.ClH.3/2H2O?
The molecular weight of C23H35ClN8O2.ClH.3/2H2O is 526.23 g/mol.
Where can I buy C23H35ClN8O2.ClH.3/2H2O?
You can request a quote for C23H35ClN8O2.ClH.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H35ClN8O2.ClH.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C23H35ClN8O2.ClH.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.