BAS 01313735
TL;DR: BAS 01313735 (CAS 330555-40-3) is a chemical compound with molecular formula C14H14N4OS3 and molecular weight 350.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: BAS 01313735, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide, 2-(Benzothiazol-2-ylsulfanyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide, A1785/0075636, 2-(benzo[d]thiazol-2-ylthio)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C14H14N4OS3 |
|---|---|
| Molecular Weight | 350.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.033 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 330555-40-3 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | HOJCDAVHXKQHGL-UHFFFAOYSA-N |
Product Overview
BAS 01313735 (CAS 330555-40-3), with molecular formula C14H14N4OS3 and molecular weight 350.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of BAS 01313735
Property Insights of BAS 01313735
The XLogP value of 4.1 indicates that BAS 01313735 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting BAS 01313735 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01313735 has 1 hydrogen bond donor(s) and 7 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 01313735?
The CAS number of BAS 01313735 is 330555-40-3.
What is the molecular formula of BAS 01313735?
The molecular formula of BAS 01313735 is C14H14N4OS3.
What is the molecular weight of BAS 01313735?
The molecular weight of BAS 01313735 is 350.03 g/mol.
Where can I buy BAS 01313735?
You can request a quote for BAS 01313735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313735?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.