BAS 00112274
TL;DR: BAS 00112274 (CAS 300360-65-0) is a chemical compound with molecular formula C21H18BrN3O2S2 and molecular weight 487.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(4-bromophenyl)imino-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
Also Known As: BAS 00112274, 3-allyl-2-[(4-bromophenyl)imino]-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one, (5Z)-2-(4-bromophenyl)imino-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
| Molecular Formula | C21H18BrN3O2S2 |
|---|---|
| Molecular Weight | 487.00 g/mol |
| LogP | 5.6178 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.00238 |
| Heavy Atoms | 29 |
| Complexity | 1050.3917 |
Chemical Identifiers
| CAS Number | 300360-65-0 |
|---|---|
| SMILES | CN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=NC4=CC=C(C=C4)Br)S3)CC=C |
Product Overview
BAS 00112274 (CAS 300360-65-0), with molecular formula C21H18BrN3O2S2 and molecular weight 487.00 g/mol. IUPAC: (5Z)-2-(4-bromophenyl)imino-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00112274
Property Insights of BAS 00112274
The XLogP value of 5.6178 indicates that BAS 00112274 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, BAS 00112274 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00112274 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00112274?
The CAS number of BAS 00112274 is 300360-65-0.
What is the molecular formula of BAS 00112274?
The molecular formula of BAS 00112274 is C21H18BrN3O2S2.
What is the molecular weight of BAS 00112274?
The molecular weight of BAS 00112274 is 487.00 g/mol.
Where can I buy BAS 00112274?
You can request a quote for BAS 00112274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00112274?
Yes, KEHONG BIO provides custom synthesis services for BAS 00112274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.