desethyl KB 3022
TL;DR: desethyl KB 3022 (CAS 101001-72-3) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid
Also Known As: Desethyl kbt-3022, Desethyl KB 3022, Desethyl KB-3022, 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid, SID:134224718
| Molecular Formula | C23H20N2O4S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.11438 |
| Heavy Atoms | 30 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 101001-72-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(=O)O)C4=CC=C(C=C4)OC |
| InChIKey | KJSPVPWIMGZXOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
desethyl KB 3022 (CAS 101001-72-3), with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol. IUPAC: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid.
Chemical Property Profile of desethyl KB 3022
Property Insights of desethyl KB 3022
The XLogP value of 4.4 indicates that desethyl KB 3022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for desethyl KB 3022. Following Lipinski's Rule of Five, desethyl KB 3022 has 1 hydrogen bond donor(s) and 6 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 desethyl KB 3022?
The CAS number of desethyl KB 3022 is 101001-72-3.
What is the molecular formula of desethyl KB 3022?
The molecular formula of desethyl KB 3022 is C23H20N2O4S.
What is the molecular weight of desethyl KB 3022?
The molecular weight of desethyl KB 3022 is 420.11 g/mol.
Where can I buy desethyl KB 3022?
You can request a quote for desethyl KB 3022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for desethyl KB 3022?
Yes, KEHONG BIO provides custom synthesis services for desethyl KB 3022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.