C19H29N3O.2ClH.1/2H2O
TL;DR: C19H29N3O.2ClH.1/2H2O (CAS 5335-59-1) is a chemical compound with molecular formula C19H31Cl2N3O and molecular weight 387.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1-benzylcyclopentyl)-2-methylpiperazin-1-yl]acetamide;dihydrochloride
Also Known As: C19H29N3O.2ClH.1/2H2O, C19-H29-N3-O.2Cl-H.1/2H2-O, N-(1-Benzylcyclopentyl)-4-methylpiperazinoacetamide dihydrochloride hemihydrate, 4-Methyl-N-(1-(phenylmethyl)cyclopentyl)-1-piperazineacetamide hydrochloride H2O (2:4:1), 1-Piperazineacetamide, 4-methyl-N-(1-(phenylmethyl)cyclopentyl)-, hydrochloride, hydrate(2:4:1)
| Molecular Formula | C19H31Cl2N3O |
|---|---|
| Molecular Weight | 387.18 g/mol |
| LogP | 2.8769 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.18442 |
| Heavy Atoms | 25 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 5335-59-1 |
|---|---|
| SMILES | CC1CN(CCN1CC(=O)N)C2(CCCC2)CC3=CC=CC=C3.Cl.Cl |
| InChIKey | JWWPUZBUNBWNJQ-UHFFFAOYSA-N |
Product Overview
C19H29N3O.2ClH.1/2H2O (CAS 5335-59-1), with molecular formula C19H31Cl2N3O and molecular weight 387.18 g/mol. IUPAC: 2-[4-(1-benzylcyclopentyl)-2-methylpiperazin-1-yl]acetamide;dihydrochloride.
Chemical Property Profile of C19H29N3O.2ClH.1/2H2O
Property Insights of C19H29N3O.2ClH.1/2H2O
The XLogP value of 2.8769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H29N3O.2ClH.1/2H2O. With a topological polar surface area (TPSA) of 49.6 Ų, C19H29N3O.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H29N3O.2ClH.1/2H2O has 3 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 C19H29N3O.2ClH.1/2H2O?
The CAS number of C19H29N3O.2ClH.1/2H2O is 5335-59-1.
What is the molecular formula of C19H29N3O.2ClH.1/2H2O?
The molecular formula of C19H29N3O.2ClH.1/2H2O is C19H31Cl2N3O.
What is the molecular weight of C19H29N3O.2ClH.1/2H2O?
The molecular weight of C19H29N3O.2ClH.1/2H2O is 387.18 g/mol.
Where can I buy C19H29N3O.2ClH.1/2H2O?
You can request a quote for C19H29N3O.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H29N3O.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C19H29N3O.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.