ChemDiv1_018464
TL;DR: ChemDiv1_018464 (CAS 317325-27-2) is a chemical compound with molecular formula C18H16IN3OS2 and molecular weight 480.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodo-2-methylphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
Also Known As: ChemDiv1_018464, N-(4-iodo-2-methylphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide, N-(4-iodo-2-methylphenyl)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzamide, N-(4-iodo-2-methylphenyl)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzamide, N-(4-iodo-2-methylphenyl)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}benzamide
| Molecular Formula | C18H16IN3OS2 |
|---|---|
| Molecular Weight | 480.98 g/mol |
| LogP | 5.30414 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.97794 |
| Heavy Atoms | 25 |
| Complexity | 910.84174 |
Chemical Identifiers
| CAS Number | 317325-27-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC(=O)C2=CC=CC(=C2)CSC3=NN=C(S3)C |
Product Overview
ChemDiv1_018464 (CAS 317325-27-2), with molecular formula C18H16IN3OS2 and molecular weight 480.98 g/mol. IUPAC: N-(4-iodo-2-methylphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide.
Chemical Property Profile of ChemDiv1_018464
Property Insights of ChemDiv1_018464
The XLogP value of 5.30414 indicates that ChemDiv1_018464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, ChemDiv1_018464 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_018464 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018464?
The CAS number of ChemDiv1_018464 is 317325-27-2.
What is the molecular formula of ChemDiv1_018464?
The molecular formula of ChemDiv1_018464 is C18H16IN3OS2.
What is the molecular weight of ChemDiv1_018464?
The molecular weight of ChemDiv1_018464 is 480.98 g/mol.
Where can I buy ChemDiv1_018464?
You can request a quote for ChemDiv1_018464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018464?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.