CCRIS 3301
TL;DR: CCRIS 3301 (CAS 104163-59-9) is a chemical compound with molecular formula C20H22O2S and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid
Also Known As: SRI 4529-19, 2-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-4,5,6,7-tetrahydro-4,4-dimethylbenzo(b)thiophene, 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid, 2-[1-(4-CARBOXYPHENYL)-1E-PROPEN-2-YL]-4,5,6,7-TETRAHYDRO-4,4-DIMETHYL-BENZO]B]THIOPHENE, 4-[(1E)-2-(4,4-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-1-en-1-yl]benzoic acid
| Molecular Formula | C20H22O2S |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 5.6207 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.13406 |
| Heavy Atoms | 23 |
| Complexity | 763.4394 |
Chemical Identifiers
| CAS Number | 104163-59-9 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(S2)CCCC3(C)C |
Product Overview
CCRIS 3301 (CAS 104163-59-9), with molecular formula C20H22O2S and molecular weight 326.13 g/mol. IUPAC: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid.
Chemical Property Profile of CCRIS 3301
Property Insights of CCRIS 3301
The XLogP value of 5.6207 indicates that CCRIS 3301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, CCRIS 3301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CCRIS 3301 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 CCRIS 3301?
The CAS number of CCRIS 3301 is 104163-59-9.
What is the molecular formula of CCRIS 3301?
The molecular formula of CCRIS 3301 is C20H22O2S.
What is the molecular weight of CCRIS 3301?
The molecular weight of CCRIS 3301 is 326.13 g/mol.
Where can I buy CCRIS 3301?
You can request a quote for CCRIS 3301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 3301?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 3301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.