CCRIS 3299
TL;DR: CCRIS 3299 (CAS 91587-07-4) is a chemical compound with molecular formula C21H22O2S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid
Also Known As: 6-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran, 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]-benzoic acid, 4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]-benzoic acid, 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid, 4-[(E)-2-[(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran)-6-yl]-1-propenyl]benzoic acid
| Molecular Formula | C21H22O2S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 5.7187 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.13406 |
| Heavy Atoms | 24 |
| Complexity | 801.0885 |
Chemical Identifiers
| CAS Number | 91587-07-4 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)SCCC3(C)C |
Product Overview
CCRIS 3299 (CAS 91587-07-4), with molecular formula C21H22O2S and molecular weight 338.13 g/mol. IUPAC: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid.
Chemical Property Profile of CCRIS 3299
Property Insights of CCRIS 3299
The XLogP value of 5.7187 indicates that CCRIS 3299 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 3299 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CCRIS 3299 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 3299?
The CAS number of CCRIS 3299 is 91587-07-4.
What is the molecular formula of CCRIS 3299?
The molecular formula of CCRIS 3299 is C21H22O2S.
What is the molecular weight of CCRIS 3299?
The molecular weight of CCRIS 3299 is 338.13 g/mol.
Where can I buy CCRIS 3299?
You can request a quote for CCRIS 3299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 3299?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 3299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.