6M-513S
TL;DR: 6M-513S (CAS 400085-69-0) is a chemical compound with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-methoxyphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide
Also Known As: 6M-513S, N-({4-isopropyl-5-[(4-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-2-methylbenzenecarboxamide, N-[(5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide, N-[[5-[(4-methoxyphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 4.39832 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 967.19855 |
Chemical Identifiers
| CAS Number | 400085-69-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCC2=NN=C(N2C(C)C)SCC3=CC=C(C=C3)OC |
Product Overview
6M-513S (CAS 400085-69-0), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: N-[[5-[(4-methoxyphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide.
Chemical Property Profile of 6M-513S
Property Insights of 6M-513S
The XLogP value of 4.39832 indicates that 6M-513S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 6M-513S. Following Lipinski's Rule of Five, 6M-513S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6M-513S?
The CAS number of 6M-513S is 400085-69-0.
What is the molecular formula of 6M-513S?
The molecular formula of 6M-513S is C22H26N4O2S.
What is the molecular weight of 6M-513S?
The molecular weight of 6M-513S is 410.18 g/mol.
Where can I buy 6M-513S?
You can request a quote for 6M-513S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6M-513S?
Yes, KEHONG BIO provides custom synthesis services for 6M-513S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.