BAS 03181661
TL;DR: BAS 03181661 (CAS 384371-03-3) is a chemical compound with molecular formula C21H19N5O4S and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate
Also Known As: BAS 03181661, ethyl 4-({[2-(1,3-benzothiazol-2-ylamino)-6-oxo-1,4,5,6-tetrahydropyrimidin-4-yl]carbonyl}amino)benzoate, ethyl 4-(2-(benzo[d]thiazol-2-ylamino)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamido)benzoate, ethyl 4-[({2-[(2E)-1,3-benzothiazol-2(3H)-ylideneamino]-6-oxo-1,4,5,6-tetrahydropyrimidin-4-yl}carbonyl)amino]benzoate, ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate
| Molecular Formula | C21H19N5O4S |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 2.7681 |
| Topological Polar Surface Area | 121.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.11578 |
| Heavy Atoms | 31 |
| Complexity | 1138.9866 |
Chemical Identifiers
| CAS Number | 384371-03-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)NC3=NC4=CC=CC=C4S3 |
Product Overview
BAS 03181661 (CAS 384371-03-3), with molecular formula C21H19N5O4S and molecular weight 437.12 g/mol. IUPAC: ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate.
Chemical Property Profile of BAS 03181661
Property Insights of BAS 03181661
The XLogP value of 2.7681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03181661. The TPSA of 121.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03181661. Following Lipinski's Rule of Five, BAS 03181661 has 3 hydrogen bond donor(s) and 8 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 03181661?
The CAS number of BAS 03181661 is 384371-03-3.
What is the molecular formula of BAS 03181661?
The molecular formula of BAS 03181661 is C21H19N5O4S.
What is the molecular weight of BAS 03181661?
The molecular weight of BAS 03181661 is 437.12 g/mol.
Where can I buy BAS 03181661?
You can request a quote for BAS 03181661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03181661?
Yes, KEHONG BIO provides custom synthesis services for BAS 03181661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.