Mol1
TL;DR: Mol1 (CAS 312497-87-3) is a chemical compound with molecular formula C24H17ClN4O2S4 and molecular weight 555.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-chlorophenyl]acetamide
Also Known As: Mol1, A1835/0077323, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorophenyl)acetamide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-chlorophenyl]acetamide, N,N'-(2-chlorobenzene-1,4-diyl)bis[2-(1,3-benzothiazol-2-ylsulfanyl)acetamide]
| Molecular Formula | C24H17ClN4O2S4 |
|---|---|
| Molecular Weight | 555.99 g/mol |
| LogP | 7.021 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 555.9923 |
| Heavy Atoms | 35 |
| Complexity | 1468.5928 |
Chemical Identifiers
| CAS Number | 312497-87-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5S4)Cl |
Product Overview
Mol1 (CAS 312497-87-3), with molecular formula C24H17ClN4O2S4 and molecular weight 555.99 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-chlorophenyl]acetamide.
Chemical Property Profile of Mol1
Property Insights of Mol1
The XLogP value of 7.021 indicates that Mol1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Mol1. Following Lipinski's Rule of Five, Mol1 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mol1?
The CAS number of Mol1 is 312497-87-3.
What is the molecular formula of Mol1?
The molecular formula of Mol1 is C24H17ClN4O2S4.
What is the molecular weight of Mol1?
The molecular weight of Mol1 is 555.99 g/mol.
Where can I buy Mol1?
You can request a quote for Mol1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mol1?
Yes, KEHONG BIO provides custom synthesis services for Mol1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.