AB00093396-01
TL;DR: AB00093396-01 (CAS 330819-58-4) is a chemical compound with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: AB00093396-01, AJ-292/40211415, ethyl 2-{[(benzylamino)carbothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(benzylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 2-[(benzylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C20H24N2O3S2 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.2627 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.12283 |
| Heavy Atoms | 27 |
| Complexity | 831.25244 |
Chemical Identifiers
| CAS Number | 330819-58-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NCC3=CC=CC=C3 |
Product Overview
AB00093396-01 (CAS 330819-58-4), with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol. IUPAC: ethyl 2-(benzylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of AB00093396-01
Property Insights of AB00093396-01
The XLogP value of 4.2627 indicates that AB00093396-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, AB00093396-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00093396-01 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 AB00093396-01?
The CAS number of AB00093396-01 is 330819-58-4.
What is the molecular formula of AB00093396-01?
The molecular formula of AB00093396-01 is C20H24N2O3S2.
What is the molecular weight of AB00093396-01?
The molecular weight of AB00093396-01 is 404.12 g/mol.
Where can I buy AB00093396-01?
You can request a quote for AB00093396-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093396-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093396-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.