BAS 00127977
TL;DR: BAS 00127977 (CAS 302601-55-4) is a chemical compound with molecular formula C19H16N2O2S3 and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00127977, (5Z)-3-benzyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-benzyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-benzyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-benzyl-5-(5-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-thioxothiazolidin-4-one
| Molecular Formula | C19H16N2O2S3 |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 4.4667 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.03738 |
| Heavy Atoms | 26 |
| Complexity | 927.6364 |
Chemical Identifiers
| CAS Number | 302601-55-4 |
|---|---|
| SMILES | CN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4 |
Product Overview
BAS 00127977 (CAS 302601-55-4), with molecular formula C19H16N2O2S3 and molecular weight 400.04 g/mol. IUPAC: (5Z)-3-benzyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00127977
Property Insights of BAS 00127977
The XLogP value of 4.4667 indicates that BAS 00127977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, BAS 00127977 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00127977 has 0 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 00127977?
The CAS number of BAS 00127977 is 302601-55-4.
What is the molecular formula of BAS 00127977?
The molecular formula of BAS 00127977 is C19H16N2O2S3.
What is the molecular weight of BAS 00127977?
The molecular weight of BAS 00127977 is 400.04 g/mol.
Where can I buy BAS 00127977?
You can request a quote for BAS 00127977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00127977?
Yes, KEHONG BIO provides custom synthesis services for BAS 00127977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.