C20H29ClN8O2.ClH.3/2H2O
TL;DR: C20H29ClN8O2.ClH.3/2H2O (CAS 19565-14-1) is a chemical compound with molecular formula C20H30Cl2N8O2 and molecular weight 484.1869 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]diazenyl]benzoate;hydrochloride
Also Known As: C20H29ClN8O2.ClH.3/2H2O, C20-H29-Cl-N8-O2.Cl-H.3/2H2-O, Benzoic acid, p-((2,4-diamino-6-((3-((2-chloroethyl)ethylamino)propyl)amino)-5-pyrimidinyl)azo)-, ethyl ester, hydrochloride, hydrate (2:2:3), ETHYL4-[2,4-DIAMINO-6-[3-[2-CHLOROETHYL(ETHYL)AMINO]PROPYLAMINO]PYRIMIDIN-5-YL]DIAZENYLBENZOATE HYDROCHLORIDE, BENZOIC ACID, p-((2,4-DIAMINO-6-((3-((2-CHLOROETHYL)ETHYLAMINO)PROPYL)AMINO)-5-P
Technical Specifications
| Molecular Formula | C20H30Cl2N8O2 |
| Molecular Weight | 484.1869 g/mol |
| XLogP | 4.02 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 484.1869 Da |
| Heavy Atoms | 32 |
| Complexity | 547.0 |
| SMILES | CCN(CCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl.Cl |
| InChIKey | LZUHEJMLCZIJFA-UHFFFAOYSA-N |
Chemical Property Profile of C20H29ClN8O2.ClH.3/2H2O
Property Insights of C20H29ClN8O2.ClH.3/2H2O
The XLogP value of 4.02 indicates that C20H29ClN8O2.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 C20H29ClN8O2.ClH.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H29ClN8O2.ClH.3/2H2O has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C20H29ClN8O2.ClH.3/2H2O?
The CAS number of C20H29ClN8O2.ClH.3/2H2O is 19565-14-1.
What is the molecular formula of C20H29ClN8O2.ClH.3/2H2O?
The molecular formula of C20H29ClN8O2.ClH.3/2H2O is C20H30Cl2N8O2.
What is the molecular weight of C20H29ClN8O2.ClH.3/2H2O?
The molecular weight of C20H29ClN8O2.ClH.3/2H2O is 484.1869 g/mol.
Where can I buy C20H29ClN8O2.ClH.3/2H2O?
You can request a quote for C20H29ClN8O2.ClH.3/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H29ClN8O2.ClH.3/2H2O?
Yes, CoreyChem provides custom synthesis services for C20H29ClN8O2.ClH.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.