BAS 01540272
TL;DR: BAS 01540272 (CAS 333435-68-0) is a chemical compound with molecular formula C18H16N4O4S3 and molecular weight 448.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: BAS 01540272, methyl 4-[(Z)-[3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate, (Z)-methyl 4-((3-(3-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(3-{2-[N-(5-methyl(1,3,4-thiadiazol-2-yl))carbamoyl]ethyl}-4-oxo-2-t hioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate, methyl 4-[(Z)-(3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
| Molecular Formula | C18H16N4O4S3 |
|---|---|
| Molecular Weight | 448.03 g/mol |
| LogP | 2.86312 |
| Topological Polar Surface Area | 101.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.03336 |
| Heavy Atoms | 29 |
| Complexity | 1000.7901 |
Chemical Identifiers
| CAS Number | 333435-68-0 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CCN2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/SC2=S |
Product Overview
BAS 01540272 (CAS 333435-68-0), with molecular formula C18H16N4O4S3 and molecular weight 448.03 g/mol. IUPAC: methyl 4-[(Z)-[3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of BAS 01540272
Property Insights of BAS 01540272
The XLogP value of 2.86312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01540272. The TPSA of 101.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01540272. Following Lipinski's Rule of Five, BAS 01540272 has 1 hydrogen bond donor(s) and 9 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 01540272?
The CAS number of BAS 01540272 is 333435-68-0.
What is the molecular formula of BAS 01540272?
The molecular formula of BAS 01540272 is C18H16N4O4S3.
What is the molecular weight of BAS 01540272?
The molecular weight of BAS 01540272 is 448.03 g/mol.
Where can I buy BAS 01540272?
You can request a quote for BAS 01540272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01540272?
Yes, KEHONG BIO provides custom synthesis services for BAS 01540272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.