A3634/0154201
TL;DR: A3634/0154201 (CAS 697239-71-7) is a chemical compound with molecular formula C22H22N6O5S and molecular weight 482.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A3634/0154201, 2-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-(benzo[d][1,3]dioxol-5-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-{4-[(1,3-BENZODIOXOL-5-YLAMINO)CARBOTHIOYL]PIPERAZINO}-8-ETHYL-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
| Molecular Formula | C22H22N6O5S |
|---|---|
| Molecular Weight | 482.14 g/mol |
| LogP | 1.7573 |
| Topological Polar Surface Area | 122.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.13724 |
| Heavy Atoms | 34 |
| Complexity | 1351.6 |
Chemical Identifiers
| CAS Number | 697239-71-7 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCO5)C(=O)O |
Product Overview
A3634/0154201 (CAS 697239-71-7), with molecular formula C22H22N6O5S and molecular weight 482.14 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A3634/0154201
Property Insights of A3634/0154201
The XLogP value of 1.7573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3634/0154201. The TPSA of 122.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A3634/0154201. Following Lipinski's Rule of Five, A3634/0154201 has 2 hydrogen bond donor(s) and 8 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 A3634/0154201?
The CAS number of A3634/0154201 is 697239-71-7.
What is the molecular formula of A3634/0154201?
The molecular formula of A3634/0154201 is C22H22N6O5S.
What is the molecular weight of A3634/0154201?
The molecular weight of A3634/0154201 is 482.14 g/mol.
Where can I buy A3634/0154201?
You can request a quote for A3634/0154201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3634/0154201?
Yes, KEHONG BIO provides custom synthesis services for A3634/0154201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.