A3599/0152463
TL;DR: A3599/0152463 (CAS 498570-49-3) is a chemical compound with molecular formula C16H22N2O2S3 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate
Also Known As: A3599/0152463, ethyl 5,5-dimethyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate, ethyl 2-(3-allylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate, ETHYL 2-{[(ALLYLAMINO)CARBOTHIOYL]AMINO}-5,5-DIMETHYL-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLATE, ethyl 5,5-dimethyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate
| Molecular Formula | C16H22N2O2S3 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 3.9651 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.08435 |
| Heavy Atoms | 23 |
| Complexity | 623.0867 |
Chemical Identifiers
| CAS Number | 498570-49-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=S)NCC=C |
Product Overview
A3599/0152463 (CAS 498570-49-3), with molecular formula C16H22N2O2S3 and molecular weight 370.08 g/mol. IUPAC: ethyl 5,5-dimethyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate.
Chemical Property Profile of A3599/0152463
Property Insights of A3599/0152463
The XLogP value of 3.9651 indicates that A3599/0152463 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, A3599/0152463 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3599/0152463 has 2 hydrogen bond donor(s) and 5 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 A3599/0152463?
The CAS number of A3599/0152463 is 498570-49-3.
What is the molecular formula of A3599/0152463?
The molecular formula of A3599/0152463 is C16H22N2O2S3.
What is the molecular weight of A3599/0152463?
The molecular weight of A3599/0152463 is 370.08 g/mol.
Where can I buy A3599/0152463?
You can request a quote for A3599/0152463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3599/0152463?
Yes, KEHONG BIO provides custom synthesis services for A3599/0152463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.