BAS 00604871
TL;DR: BAS 00604871 (CAS 331831-35-7) is a chemical compound with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
Also Known As: BAS 00604871, BIM-0028837.P001, AL-281/11336223, 5,7-dimethyl-1'-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione, 5,7-dimethyl-1'-propyl-6h-spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6(1'h)-dione
| Molecular Formula | C20H25N3O2 |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.19467 |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 331831-35-7 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3(C1=O)N4CC5(CN3CC(C4)(C5=O)C)C |
| InChIKey | DHUPXYDROXUBOS-UHFFFAOYSA-N |
Product Overview
BAS 00604871 (CAS 331831-35-7), with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol. IUPAC: 5,7-dimethyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
Chemical Property Profile of BAS 00604871
Property Insights of BAS 00604871
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00604871. With a topological polar surface area (TPSA) of 43.9 Ų, BAS 00604871 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00604871 has 0 hydrogen bond donor(s) and 4 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 00604871?
The CAS number of BAS 00604871 is 331831-35-7.
What is the molecular formula of BAS 00604871?
The molecular formula of BAS 00604871 is C20H25N3O2.
What is the molecular weight of BAS 00604871?
The molecular weight of BAS 00604871 is 339.19 g/mol.
Where can I buy BAS 00604871?
You can request a quote for BAS 00604871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00604871?
Yes, KEHONG BIO provides custom synthesis services for BAS 00604871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.