BAS 01306844
TL;DR: BAS 01306844 (CAS 309731-17-7) is a chemical compound with molecular formula C21H27N3O4S3 and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-(2,2,6-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,4,2,3-dithiadiazolidine-2,3-dicarboxylate
Also Known As: BAS 01306844, diisopropyl 5-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,4,2,3-dithiadiazolidine-2,3-dicarboxylate, dipropan-2-yl 5-(2,2,6-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,4,2,3-dithiadiazolidine-2,3-dicarboxylate, dipropan-2-yl 5-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,4,2,3-dithiadiazolidine-2,3-dicarboxylate, methylethyl 3-[(methylethyl)oxycarbonyl]-5-(2,2,6-trimethyl-3-thioxo(4-1,2-dih ydroquinolylidene))-1,4,2,3-dithiadiazolidine-2-carboxylate
| Molecular Formula | C21H27N3O4S3 |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 6.15662 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 481.11636 |
| Heavy Atoms | 31 |
| Complexity | 927.1884 |
Chemical Identifiers
| CAS Number | 309731-17-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(C(=S)C2=C3SN(N(S3)C(=O)OC(C)C)C(=O)OC(C)C)(C)C |
Product Overview
BAS 01306844 (CAS 309731-17-7), with molecular formula C21H27N3O4S3 and molecular weight 481.12 g/mol. IUPAC: dipropan-2-yl 5-(2,2,6-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,4,2,3-dithiadiazolidine-2,3-dicarboxylate.
Chemical Property Profile of BAS 01306844
Property Insights of BAS 01306844
The XLogP value of 6.15662 indicates that BAS 01306844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01306844. Following Lipinski's Rule of Five, BAS 01306844 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01306844?
The CAS number of BAS 01306844 is 309731-17-7.
What is the molecular formula of BAS 01306844?
The molecular formula of BAS 01306844 is C21H27N3O4S3.
What is the molecular weight of BAS 01306844?
The molecular weight of BAS 01306844 is 481.12 g/mol.
Where can I buy BAS 01306844?
You can request a quote for BAS 01306844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01306844?
Yes, KEHONG BIO provides custom synthesis services for BAS 01306844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.