BAS 01076728
TL;DR: BAS 01076728 (CAS 342431-29-2) is a chemical compound with molecular formula C23H26ClN3O6S and molecular weight 507.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(butoxymethyl)-3-[2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Also Known As: BAS 01076728, A2075/0087223, 2-(butoxymethyl)-7-[2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-7-methyl-3,8-dioxaspiro[4.4]nonane-4,9-dione, 8-(butoxymethyl)-3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, 8-(butoxymethyl)-3-(2-((5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
| Molecular Formula | C23H26ClN3O6S |
|---|---|
| Molecular Weight | 507.12 g/mol |
| LogP | 3.6105 |
| Topological Polar Surface Area | 120.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.12308 |
| Heavy Atoms | 34 |
| Complexity | 1094.1627 |
Chemical Identifiers
| CAS Number | 342431-29-2 |
|---|---|
| SMILES | CCCCOCC1CC2(CC(OC2=O)(C)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4Cl)C(=O)O1 |
Product Overview
BAS 01076728 (CAS 342431-29-2), with molecular formula C23H26ClN3O6S and molecular weight 507.12 g/mol. IUPAC: 8-(butoxymethyl)-3-[2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione.
Chemical Property Profile of BAS 01076728
Property Insights of BAS 01076728
The XLogP value of 3.6105 indicates that BAS 01076728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01076728. Following Lipinski's Rule of Five, BAS 01076728 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01076728?
The CAS number of BAS 01076728 is 342431-29-2.
What is the molecular formula of BAS 01076728?
The molecular formula of BAS 01076728 is C23H26ClN3O6S.
What is the molecular weight of BAS 01076728?
The molecular weight of BAS 01076728 is 507.12 g/mol.
Where can I buy BAS 01076728?
You can request a quote for BAS 01076728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01076728?
Yes, KEHONG BIO provides custom synthesis services for BAS 01076728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.