BAS 02169972
TL;DR: BAS 02169972 (CAS 312622-74-5) is a chemical compound with molecular formula C17H19NO5S and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
Also Known As: BAS 02169972, 2-(ethylsulfanyl)ethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate, 2-ethylsulfanylethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate, 2-(ETHYLSULFANYL)ETHYL 3A,8B-DIHYDROXY-2-METHYL-4-OXO-1H-INDENO[1,2-B]PYRROLE-3-CARBOXYLATE, 2-(ethylthio)ethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate
| Molecular Formula | C17H19NO5S |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 0.9326 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0984 |
| Heavy Atoms | 24 |
| Complexity | 746.2514 |
Chemical Identifiers
| CAS Number | 312622-74-5 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2(C1(C(=O)C3=CC=CC=C32)O)O)C |
Product Overview
BAS 02169972 (CAS 312622-74-5), with molecular formula C17H19NO5S and molecular weight 349.10 g/mol. IUPAC: 2-ethylsulfanylethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate.
Chemical Property Profile of BAS 02169972
Property Insights of BAS 02169972
The XLogP value of 0.9326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02169972. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02169972. Following Lipinski's Rule of Five, BAS 02169972 has 3 hydrogen bond donor(s) and 7 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 BAS 02169972?
The CAS number of BAS 02169972 is 312622-74-5.
What is the molecular formula of BAS 02169972?
The molecular formula of BAS 02169972 is C17H19NO5S.
What is the molecular weight of BAS 02169972?
The molecular weight of BAS 02169972 is 349.10 g/mol.
Where can I buy BAS 02169972?
You can request a quote for BAS 02169972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02169972?
Yes, KEHONG BIO provides custom synthesis services for BAS 02169972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.