C16H28ClN.ClH
TL;DR: C16H28ClN.ClH (CAS 31878-61-2) is a chemical compound with molecular formula C16H29Cl2N and molecular weight 305.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-1-adamantyl)-N-propan-2-ylpropan-2-amine;hydrochloride
Also Known As: ADAMANTANE, 2-CHLORO-1-(2-ISOPROPYLAMINOPROPYL)-, HYDROCHLORIDE, 2-Propylamine, 1-(2-chloro-1-adamantyl)-N-isopropyl-, hydrochloride, 1-(2-chloro-1-adamantyl)-N-propan-2-ylpropan-2-amine hydrochloride, 1-(2-Chloroadamantan-1-yl)-N-(propan-2-yl)propan-2-amine--hydrogen chloride (1/1), 1-Adamantaneethylamine, 2-chloro-N-isopropyl-.alpha.-methyl-, hydrochloride
| Molecular Formula | C16H29Cl2N |
|---|---|
| Molecular Weight | 305.17 g/mol |
| LogP | 4.62 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1677 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 31878-61-2 |
|---|---|
| SMILES | CC(C)NC(C)CC12CC3CC(C1)CC(C3)C2Cl.Cl |
| InChIKey | YORNKOJOAYSWBP-UHFFFAOYSA-N |
Product Overview
C16H28ClN.ClH (CAS 31878-61-2), with molecular formula C16H29Cl2N and molecular weight 305.17 g/mol. IUPAC: 1-(2-chloro-1-adamantyl)-N-propan-2-ylpropan-2-amine;hydrochloride.
Chemical Property Profile of C16H28ClN.ClH
Property Insights of C16H28ClN.ClH
The XLogP value of 4.62 indicates that C16H28ClN.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, C16H28ClN.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H28ClN.ClH has 2 hydrogen bond donor(s) and 1 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 C16H28ClN.ClH?
The CAS number of C16H28ClN.ClH is 31878-61-2.
What is the molecular formula of C16H28ClN.ClH?
The molecular formula of C16H28ClN.ClH is C16H29Cl2N.
What is the molecular weight of C16H28ClN.ClH?
The molecular weight of C16H28ClN.ClH is 305.17 g/mol.
Where can I buy C16H28ClN.ClH?
You can request a quote for C16H28ClN.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H28ClN.ClH?
Yes, KEHONG BIO provides custom synthesis services for C16H28ClN.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.