RefChem:211672
TL;DR: RefChem:211672 (CAS 77869-67-1) is a chemical compound with molecular formula C23H29N3O8 and molecular weight 475.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]aniline;oxalic acid
Also Known As: N-(2-(3-Benzylhexahydropyrimidino)ethyl)aniline oxalate hydrate, C19H25N3.2C2H2O4.1/2H2O, 1(2H)-Pyrimidineethanamine, tetrahydro-N-phenyl-3-(phenylmethyl)-, ethanedioate, hydrate (2:4:1), C19-H25-N3.2C2-H2-O4.1/2H2-O, N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]aniline; oxalic acid
| Molecular Formula | C23H29N3O8 |
|---|---|
| Molecular Weight | 475.20 g/mol |
| LogP | 1.5751 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.19547 |
| Heavy Atoms | 34 |
| Complexity | 860.946 |
Chemical Identifiers
| CAS Number | 77869-67-1 |
|---|---|
| SMILES | C1CN(CN(C1)CC2=CC=CC=C2)CCNC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:211672 (CAS 77869-67-1), with molecular formula C23H29N3O8 and molecular weight 475.20 g/mol. IUPAC: N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]aniline;oxalic acid.
Chemical Property Profile of RefChem:211672
Property Insights of RefChem:211672
The XLogP value of 1.5751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:211672. The TPSA of 167.71 Ų indicates high polarity, suggesting RefChem:211672 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:211672 has 5 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 RefChem:211672?
The CAS number of RefChem:211672 is 77869-67-1.
What is the molecular formula of RefChem:211672?
The molecular formula of RefChem:211672 is C23H29N3O8.
What is the molecular weight of RefChem:211672?
The molecular weight of RefChem:211672 is 475.20 g/mol.
Where can I buy RefChem:211672?
You can request a quote for RefChem:211672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:211672?
Yes, KEHONG BIO provides custom synthesis services for RefChem:211672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.