BAS 00233905
TL;DR: BAS 00233905 (CAS 485826-80-0) is a chemical compound with molecular formula C34H30N2O3S and molecular weight 546.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,7-diethyl-3,5,10-trioxo-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00233905, 2-(4,7-Diethyl-1,3,3a,4,7,7a-hexahydro-1,3,8-trioxo-5,6-diphenyl-4,7-methano-2H-isoindol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-(1,7-diethyl-3,5,10-trioxo-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C34H30N2O3S |
|---|---|
| Molecular Weight | 546.20 g/mol |
| LogP | 6.60428 |
| Topological Polar Surface Area | 78.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.1977 |
| Heavy Atoms | 40 |
| Complexity | 1578.522 |
Chemical Identifiers
| CAS Number | 485826-80-0 |
|---|---|
| SMILES | CCC12C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)C(C1=O)(C(=C2C6=CC=CC=C6)C7=CC=CC=C7)CC |
Product Overview
BAS 00233905 (CAS 485826-80-0), with molecular formula C34H30N2O3S and molecular weight 546.20 g/mol. IUPAC: 2-(1,7-diethyl-3,5,10-trioxo-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 00233905
Property Insights of BAS 00233905
The XLogP value of 6.60428 indicates that BAS 00233905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00233905. Following Lipinski's Rule of Five, BAS 00233905 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00233905?
The CAS number of BAS 00233905 is 485826-80-0.
What is the molecular formula of BAS 00233905?
The molecular formula of BAS 00233905 is C34H30N2O3S.
What is the molecular weight of BAS 00233905?
The molecular weight of BAS 00233905 is 546.20 g/mol.
Where can I buy BAS 00233905?
You can request a quote for BAS 00233905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00233905?
Yes, KEHONG BIO provides custom synthesis services for BAS 00233905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.