BAS 00482396
TL;DR: BAS 00482396 (CAS 5153-82-2) is a chemical compound with molecular formula C29H30N2O4S3 and molecular weight 566.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
Also Known As: BAS 00482396, 2-[(1E)-2-{[(2Z)-3-ETHYL-5-METHOXY-2,3-DIHYDRO-1,3-BENZOTHIAZOL-2-YLIDENE]METHYL}BUT-1-EN-1-YL]-1-(3-SULFONATOPROPYL)NAPHTHO[1,2-D][1,3]THIAZOL-1-IUM, 3-(2-((E)-2-((Z)-(3-ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)naphtho[1,2-d]thiazol-1-ium-1-yl)propane-1-sulfonate, 3-(2-{(1E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate, 3-(2-{2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-buten-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)-1-propanesulfonate
| Molecular Formula | C29H30N2O4S3 |
|---|---|
| Molecular Weight | 566.14 g/mol |
| LogP | 6.5529 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.1368 |
| Heavy Atoms | 38 |
| Complexity | 1672.2223 |
Chemical Identifiers
| CAS Number | 5153-82-2 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])/C=C\4/N(C5=C(S4)C=CC(=C5)OC)CC |
Product Overview
BAS 00482396 (CAS 5153-82-2), with molecular formula C29H30N2O4S3 and molecular weight 566.14 g/mol. IUPAC: 3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of BAS 00482396
Property Insights of BAS 00482396
The XLogP value of 6.5529 indicates that BAS 00482396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00482396. Following Lipinski's Rule of Five, BAS 00482396 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00482396?
The CAS number of BAS 00482396 is 5153-82-2.
What is the molecular formula of BAS 00482396?
The molecular formula of BAS 00482396 is C29H30N2O4S3.
What is the molecular weight of BAS 00482396?
The molecular weight of BAS 00482396 is 566.14 g/mol.
Where can I buy BAS 00482396?
You can request a quote for BAS 00482396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00482396?
Yes, KEHONG BIO provides custom synthesis services for BAS 00482396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.