ChemDiv3_007031
TL;DR: ChemDiv3_007031 (CAS 709002-47-1) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
Also Known As: ChemDiv3_007031, IDI1_024941, BAS 09105215, [3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone, [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 3.29572 |
| Topological Polar Surface Area | 71.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 994.5583 |
Chemical Identifiers
| CAS Number | 709002-47-1 |
|---|---|
| SMILES | CC1=CC(=C2C(=C(SC2=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4)N)COC |
Product Overview
ChemDiv3_007031 (CAS 709002-47-1), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of ChemDiv3_007031
Property Insights of ChemDiv3_007031
The XLogP value of 3.29572 indicates that ChemDiv3_007031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007031. Following Lipinski's Rule of Five, ChemDiv3_007031 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 ChemDiv3_007031?
The CAS number of ChemDiv3_007031 is 709002-47-1.
What is the molecular formula of ChemDiv3_007031?
The molecular formula of ChemDiv3_007031 is C21H24N4O2S.
What is the molecular weight of ChemDiv3_007031?
The molecular weight of ChemDiv3_007031 is 396.16 g/mol.
Where can I buy ChemDiv3_007031?
You can request a quote for ChemDiv3_007031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007031?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.