TimTec1_003878
TL;DR: TimTec1_003878 (CAS 295344-30-8) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
Also Known As: TimTec1_003878, BAS 00380948, benzyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate, BRD-A41211845-001-01-8, benzyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 1.3797 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 951.6837 |
Chemical Identifiers
| CAS Number | 295344-30-8 |
|---|---|
| SMILES | CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OCC4=CC=CC=C4 |
Product Overview
TimTec1_003878 (CAS 295344-30-8), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: benzyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate.
Chemical Property Profile of TimTec1_003878
Property Insights of TimTec1_003878
The XLogP value of 1.3797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_003878. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003878. Following Lipinski's Rule of Five, TimTec1_003878 has 3 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 TimTec1_003878?
The CAS number of TimTec1_003878 is 295344-30-8.
What is the molecular formula of TimTec1_003878?
The molecular formula of TimTec1_003878 is C20H17NO5.
What is the molecular weight of TimTec1_003878?
The molecular weight of TimTec1_003878 is 351.11 g/mol.
Where can I buy TimTec1_003878?
You can request a quote for TimTec1_003878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003878?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.