1K-315S
TL;DR: 1K-315S (CAS 860787-67-3) is a chemical compound with molecular formula C21H17Cl2N3O and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(2,6-dichlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one
Also Known As: 1K-315S, 3-[1-(2,6-dichlorobenzyl)-5,6-dimethyl-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone, 3-[1-[(2,6-dichlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one, 3-{1-[(2,6-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one, 3-[3-[(2,6-dichlorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-ylidene]pyridin-2-one
| Molecular Formula | C21H17Cl2N3O |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 5.36354 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.07486 |
| Heavy Atoms | 27 |
| Complexity | 1203.7996 |
Chemical Identifiers
| CAS Number | 860787-67-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(=N2)C3=CC=CNC3=O)CC4=C(C=CC=C4Cl)Cl |
Product Overview
1K-315S (CAS 860787-67-3), with molecular formula C21H17Cl2N3O and molecular weight 397.07 g/mol. IUPAC: 3-[1-[(2,6-dichlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one.
Chemical Property Profile of 1K-315S
Property Insights of 1K-315S
The XLogP value of 5.36354 indicates that 1K-315S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 1K-315S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1K-315S has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1K-315S?
The CAS number of 1K-315S is 860787-67-3.
What is the molecular formula of 1K-315S?
The molecular formula of 1K-315S is C21H17Cl2N3O.
What is the molecular weight of 1K-315S?
The molecular weight of 1K-315S is 397.07 g/mol.
Where can I buy 1K-315S?
You can request a quote for 1K-315S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1K-315S?
Yes, KEHONG BIO provides custom synthesis services for 1K-315S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.