BAS 00389634
TL;DR: BAS 00389634 (CAS 177744-23-9) is a chemical compound with molecular formula C20H22N2O8 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[10-(3-carboxypropyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]butanoic acid
Also Known As: BAS 00389634, 4,4'-(1,3,5,7-tetraoxooctahydro-4,8-ethenopyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibutanoic acid, 1,3,5,7-Tetraoxo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenobenzo[1,2-c:4,5-c ]dipyrrole-2,6-dibutyric acid, 4,4'-(1,3,5,7-tetraoxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-ethenopyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibutanoic acid, 4-[10-(3-carboxypropyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0<2,6>.0< 8,12>]tetradec-13-en-4-yl]butanoic acid
| Molecular Formula | C20H22N2O8 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | -0.2658 |
| Topological Polar Surface Area | 149.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.1376 |
| Heavy Atoms | 30 |
| Complexity | 766.0322 |
Chemical Identifiers
| CAS Number | 177744-23-9 |
|---|---|
| SMILES | C1=CC2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)C(=O)N(C3=O)CCCC(=O)O |
Product Overview
BAS 00389634 (CAS 177744-23-9), with molecular formula C20H22N2O8 and molecular weight 418.14 g/mol. IUPAC: 4-[10-(3-carboxypropyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]butanoic acid.
Chemical Property Profile of BAS 00389634
Property Insights of BAS 00389634
The XLogP value of -0.2658 indicates that BAS 00389634 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.36 Ų indicates high polarity, suggesting BAS 00389634 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00389634 has 2 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 BAS 00389634?
The CAS number of BAS 00389634 is 177744-23-9.
What is the molecular formula of BAS 00389634?
The molecular formula of BAS 00389634 is C20H22N2O8.
What is the molecular weight of BAS 00389634?
The molecular weight of BAS 00389634 is 418.14 g/mol.
Where can I buy BAS 00389634?
You can request a quote for BAS 00389634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00389634?
Yes, KEHONG BIO provides custom synthesis services for BAS 00389634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.