1P-690S
TL;DR: 1P-690S (CAS 477869-71-9) is a chemical compound with molecular formula C20H15Cl2NO2S2 and molecular weight 434.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfanyl-2-nitrobenzene
Also Known As: 1P-690S, 4-{[(2,5-dichlorophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene, 4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfanyl-2-nitrobenzene, 4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfanyl-2-nitro-benzene
| Molecular Formula | C20H15Cl2NO2S2 |
|---|---|
| Molecular Weight | 434.99 g/mol |
| LogP | 7.65352 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.99213 |
| Heavy Atoms | 27 |
| Complexity | 978.21576 |
Chemical Identifiers
| CAS Number | 477869-71-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CSC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-] |
Product Overview
1P-690S (CAS 477869-71-9), with molecular formula C20H15Cl2NO2S2 and molecular weight 434.99 g/mol. IUPAC: 4-[(2,5-dichlorophenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfanyl-2-nitrobenzene.
Chemical Property Profile of 1P-690S
Property Insights of 1P-690S
The XLogP value of 7.65352 indicates that 1P-690S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1P-690S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1P-690S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1P-690S?
The CAS number of 1P-690S is 477869-71-9.
What is the molecular formula of 1P-690S?
The molecular formula of 1P-690S is C20H15Cl2NO2S2.
What is the molecular weight of 1P-690S?
The molecular weight of 1P-690S is 434.99 g/mol.
Where can I buy 1P-690S?
You can request a quote for 1P-690S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1P-690S?
Yes, KEHONG BIO provides custom synthesis services for 1P-690S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.