C16H27N3O.ClH.1/2H2O
TL;DR: C16H27N3O.ClH.1/2H2O (CAS 135420-40-5) is a chemical compound with molecular formula C16H28ClN3O and molecular weight 313.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[2-(diethylamino)ethyl]-4-propoxybenzenecarboximidamide;hydrochloride
Also Known As: C16H27N3O.ClH.1/2H2O, Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, hydrochloride, hydrate (2:2:1), C16-H27-N3-O.Cl-H.1/2H2-O, N-(2-(Diethylamino)ethyl)-4-propoxybenzenecarboximidamide hydrochloride, hydrate (2:2:1), N'-(2-diethylaminoethyl)-4-propoxybenzenecarboximidamide hydrochloride
| Molecular Formula | C16H28ClN3O |
|---|---|
| Molecular Weight | 313.19 g/mol |
| LogP | 2.9443 |
| Topological Polar Surface Area | 50.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.19208 |
| Heavy Atoms | 21 |
| Complexity | 402.48804 |
Chemical Identifiers
| CAS Number | 135420-40-5 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=NCCN(CC)CC)N.Cl |
Product Overview
C16H27N3O.ClH.1/2H2O (CAS 135420-40-5), with molecular formula C16H28ClN3O and molecular weight 313.19 g/mol. IUPAC: N'-[2-(diethylamino)ethyl]-4-propoxybenzenecarboximidamide;hydrochloride.
Chemical Property Profile of C16H27N3O.ClH.1/2H2O
Property Insights of C16H27N3O.ClH.1/2H2O
The XLogP value of 2.9443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H27N3O.ClH.1/2H2O. With a topological polar surface area (TPSA) of 50.85 Ų, C16H27N3O.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H27N3O.ClH.1/2H2O has 1 hydrogen bond donor(s) and 3 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 C16H27N3O.ClH.1/2H2O?
The CAS number of C16H27N3O.ClH.1/2H2O is 135420-40-5.
What is the molecular formula of C16H27N3O.ClH.1/2H2O?
The molecular formula of C16H27N3O.ClH.1/2H2O is C16H28ClN3O.
What is the molecular weight of C16H27N3O.ClH.1/2H2O?
The molecular weight of C16H27N3O.ClH.1/2H2O is 313.19 g/mol.
Where can I buy C16H27N3O.ClH.1/2H2O?
You can request a quote for C16H27N3O.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H27N3O.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C16H27N3O.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.