PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-
TL;DR: PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- (CAS 52749-17-4) is a chemical compound with molecular formula C25H26N2O2S2 and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate
Also Known As: PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-, 2-[2-[(E)-2-[(Z)-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate, 2-[2-[2-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate
| Molecular Formula | C25H26N2O2S2 |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 4.82254 |
| Topological Polar Surface Area | 47.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.1436 |
| Heavy Atoms | 31 |
| Complexity | 1223.7302 |
Chemical Identifiers
| CAS Number | 52749-17-4 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)C)CC(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)C)CC |
Product Overview
PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- (CAS 52749-17-4), with molecular formula C25H26N2O2S2 and molecular weight 450.14 g/mol. IUPAC: 2-[2-[2-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate.
Chemical Property Profile of PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-
Property Insights of PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-
The XLogP value of 4.82254 indicates that PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.25 Ų, PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- has 0 hydrogen bond donor(s) and 5 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 PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-?
The CAS number of PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- is 52749-17-4.
What is the molecular formula of PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-?
The molecular formula of PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- is C25H26N2O2S2.
What is the molecular weight of PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-?
The molecular weight of PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- is 450.14 g/mol.
Where can I buy PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-?
You can request a quote for PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-?
Yes, KEHONG BIO provides custom synthesis services for PBCMRBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.