![(E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one structure](/static/products/371/371213-33-1.png)
(E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one
TL;DR: (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one (CAS 371213-33-1) is a chemical compound with molecular formula C28H30N2O2S and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one
Also Known As: (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one, 1-(1-adamantyl)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2-propen-1-one, (2E)-1-(ADAMANTAN-1-YL)-3-{3-[(1H-1,3-BENZODIAZOL-2-YLSULFANYL)METHYL]-4-METHOXYPHENYL}PROP-2-EN-1-ONE, (2E)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one, (E)-3-(3-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-4-methoxyphenyl)-1-((1s,3s)-adamantan-1-yl)prop-2-en-1-one
| Molecular Formula | C28H30N2O2S |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 6.6625 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.2028 |
| Heavy Atoms | 33 |
| Complexity | 1159.3312 |
Chemical Identifiers
| CAS Number | 371213-33-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)CSC5=NC6=CC=CC=C6N5 |
Product Overview
(E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one (CAS 371213-33-1), with molecular formula C28H30N2O2S and molecular weight 458.20 g/mol. IUPAC: (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one.
Chemical Property Profile of (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one
Property Insights of (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one
The XLogP value of 6.6625 indicates that (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one has 1 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 (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one?
The CAS number of (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one is 371213-33-1.
What is the molecular formula of (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one?
The molecular formula of (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one is C28H30N2O2S.
What is the molecular weight of (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one?
The molecular weight of (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one is 458.20 g/mol.
Where can I buy (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one?
You can request a quote for (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(1-adamantyl)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.