A4010/0170965
TL;DR: A4010/0170965 (CAS 1212066-64-2) is a chemical compound with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: A4010/0170965, (1R,5R)-N-(benzo[d][1,3]dioxol-5-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide, (1S,5R)-N-(1,3-benzodioxol-5-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide, (1S,9R)-11-[(2H-benzo[3,4-d]1,3-dioxolen-5-ylamino)thioxomethyl]-7,11-diazatri cyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one, N~11~-(1,3-BENZODIOXOL-5-YL)-6-OXO-7,11-DIAZATRICYCLO[7.3.1.0~2,7~]TRIDECA-2,4-DIENE-11-CARBOTHIOAMIDE
| Molecular Formula | C19H19N3O3S |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 2.3931 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.11472 |
| Heavy Atoms | 26 |
| Complexity | 941.8669 |
Chemical Identifiers
| CAS Number | 1212066-64-2 |
|---|---|
| SMILES | C1[C@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=S)NC4=CC5=C(C=C4)OCO5 |
Product Overview
A4010/0170965 (CAS 1212066-64-2), with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol. IUPAC: (1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of A4010/0170965
Property Insights of A4010/0170965
The XLogP value of 2.3931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4010/0170965. With a topological polar surface area (TPSA) of 55.73 Ų, A4010/0170965 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4010/0170965 has 1 hydrogen bond donor(s) and 4 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 A4010/0170965?
The CAS number of A4010/0170965 is 1212066-64-2.
What is the molecular formula of A4010/0170965?
The molecular formula of A4010/0170965 is C19H19N3O3S.
What is the molecular weight of A4010/0170965?
The molecular weight of A4010/0170965 is 369.11 g/mol.
Where can I buy A4010/0170965?
You can request a quote for A4010/0170965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4010/0170965?
Yes, KEHONG BIO provides custom synthesis services for A4010/0170965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.