MDBACEC
TL;DR: MDBACEC (CAS 708247-85-2) is a chemical compound with molecular formula C18H19N3O2S3 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate
Also Known As: MDBACEC, methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate, methyl 2-({[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]carbonothioyl}amino)-5-ethyl-3-thiophenecarboxylate, methyl 2-({[(5,6-dimethylbenzothiazol-2-yl)amino]thioxomethyl}amino)-5-ethylth iophene-3-carboxylate, methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate
| Molecular Formula | C18H19N3O2S3 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 5.13254 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.06393 |
| Heavy Atoms | 26 |
| Complexity | 952.14124 |
Chemical Identifiers
| CAS Number | 708247-85-2 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C)C(=O)OC |
Product Overview
MDBACEC (CAS 708247-85-2), with molecular formula C18H19N3O2S3 and molecular weight 405.06 g/mol. IUPAC: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of MDBACEC
Property Insights of MDBACEC
The XLogP value of 5.13254 indicates that MDBACEC is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for MDBACEC. Following Lipinski's Rule of Five, MDBACEC has 2 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 MDBACEC?
The CAS number of MDBACEC is 708247-85-2.
What is the molecular formula of MDBACEC?
The molecular formula of MDBACEC is C18H19N3O2S3.
What is the molecular weight of MDBACEC?
The molecular weight of MDBACEC is 405.06 g/mol.
Where can I buy MDBACEC?
You can request a quote for MDBACEC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MDBACEC?
Yes, KEHONG BIO provides custom synthesis services for MDBACEC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.