RefChem:234598
TL;DR: RefChem:234598 (CAS 88313-61-5) is a chemical compound with molecular formula C16H32Cl2N2S and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1-adamantylmethylamino)ethylamino]propane-1-thiol;dihydrochloride
Also Known As: 1-Propanethiol, 3-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)-, dihydrochloride, N-(Adamantyl-1-methyl)-N'-(3-mercaptopropyl)ethylenediamine dihydrochloride, 3-((2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)-1-propanethiol 2HCl, 3-[2-(1-adamantylmethylamino)ethylamino]propane-1-thiol dihydrochloride, 1-Propanethiol, 3-((2-((tricyclo(3.3.1.1(3,7))dec-1-ylmethyl)amino)ethyl)amino)-, 2HCl
| Molecular Formula | C16H32Cl2N2S |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 3.55 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.16632 |
| Heavy Atoms | 21 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 88313-61-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CNCCNCCCS.Cl.Cl |
| InChIKey | SILSYNJIKUOWKK-UHFFFAOYSA-N |
Product Overview
RefChem:234598 (CAS 88313-61-5), with molecular formula C16H32Cl2N2S and molecular weight 354.17 g/mol. IUPAC: 3-[2-(1-adamantylmethylamino)ethylamino]propane-1-thiol;dihydrochloride.
Chemical Property Profile of RefChem:234598
Property Insights of RefChem:234598
The XLogP value of 3.55 indicates that RefChem:234598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.1 Ų, RefChem:234598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:234598 has 5 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 RefChem:234598?
The CAS number of RefChem:234598 is 88313-61-5.
What is the molecular formula of RefChem:234598?
The molecular formula of RefChem:234598 is C16H32Cl2N2S.
What is the molecular weight of RefChem:234598?
The molecular weight of RefChem:234598 is 354.17 g/mol.
Where can I buy RefChem:234598?
You can request a quote for RefChem:234598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234598?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.