44081 RP
TL;DR: 44081 RP (CAS 80066-81-5) is a chemical compound with molecular formula C16H15N3O2S2 and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
Also Known As: 44081 RP, RP 44081, (S)-3-[(4-carboxymethylthiazol-2-yl)imino]-1,5,10,10a-tetrahydrothiazolo[3,4-b]-isoquinoline, 2-((1,5,10,10a-Tetrahydro-3H-thiazolo(3,4b)isoquinolin-3-ylidene)amino)-4-thiazole acetic acid, 2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
| Molecular Formula | C16H15N3O2S2 |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.06058 |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 80066-81-5 |
|---|---|
| SMILES | C1[C@H]2CSC(=NC3=NC(=CS3)CC(=O)O)N2CC4=CC=CC=C41 |
| InChIKey | NSSBLCWNITXZRU-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
44081 RP (CAS 80066-81-5), with molecular formula C16H15N3O2S2 and molecular weight 345.06 g/mol. IUPAC: 2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid.
Chemical Property Profile of 44081 RP
Property Insights of 44081 RP
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 44081 RP. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 44081 RP. Following Lipinski's Rule of Five, 44081 RP has 1 hydrogen bond donor(s) and 6 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 44081 RP?
The CAS number of 44081 RP is 80066-81-5.
What is the molecular formula of 44081 RP?
The molecular formula of 44081 RP is C16H15N3O2S2.
What is the molecular weight of 44081 RP?
The molecular weight of 44081 RP is 345.06 g/mol.
Where can I buy 44081 RP?
You can request a quote for 44081 RP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 44081 RP?
Yes, KEHONG BIO provides custom synthesis services for 44081 RP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.