2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol
TL;DR: 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol (CAS 4907-10-2) is a chemical compound with molecular formula C24H24Cl2N2S and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol
Also Known As: 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol, 2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol, 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)phenyl hydrosulfide, 2-[1,3-bis[(4-chlorophenyl)methyl]hexahydropyrimidin-2-yl]benzenethiol, 2-{1,3-Bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl}benzene-1-thiol
| Molecular Formula | C24H24Cl2N2S |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 7.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.10373 |
| Heavy Atoms | 29 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 4907-10-2 |
|---|---|
| SMILES | C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3S)CC4=CC=C(C=C4)Cl |
| InChIKey | ZCKUFOFFMUAGJA-UHFFFAOYSA-N |
Product Overview
2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol (CAS 4907-10-2), with molecular formula C24H24Cl2N2S and molecular weight 442.10 g/mol. IUPAC: 2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol.
Chemical Property Profile of 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol
Property Insights of 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol
The XLogP value of 6.5 indicates that 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.5 Ų, 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol?
The CAS number of 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol is 4907-10-2.
What is the molecular formula of 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol?
The molecular formula of 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol is C24H24Cl2N2S.
What is the molecular weight of 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol?
The molecular weight of 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol is 442.10 g/mol.
Where can I buy 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol?
You can request a quote for 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Bis(4-chlorobenzyl)hexahydro-2-pyrimidinyl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.