TimTec1_000987
TL;DR: TimTec1_000987 (CAS 329935-01-5) is a chemical compound with molecular formula C16H21N3OS and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-2,2-dimethylpropan-1-one
Also Known As: TimTec1_000987, BAS 06900096, 1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)-2,2-dimethyl-1-propanone, 1-{3-amino-6-methyl-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridin-2-yl}-2,2-dimethylpropan-1-one, BRD-K27026419-001-01-2
| Molecular Formula | C16H21N3OS |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.14053 |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 329935-01-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1=C(C2=C(S1)N=C3CCN(CC3=C2)C)N |
| InChIKey | VDADFQIVHVIQMC-UHFFFAOYSA-N |
Product Overview
TimTec1_000987 (CAS 329935-01-5), with molecular formula C16H21N3OS and molecular weight 303.14 g/mol. IUPAC: 1-(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-2,2-dimethylpropan-1-one.
Chemical Property Profile of TimTec1_000987
Property Insights of TimTec1_000987
The XLogP value of 3.4 indicates that TimTec1_000987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000987. Following Lipinski's Rule of Five, TimTec1_000987 has 1 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 TimTec1_000987?
The CAS number of TimTec1_000987 is 329935-01-5.
What is the molecular formula of TimTec1_000987?
The molecular formula of TimTec1_000987 is C16H21N3OS.
What is the molecular weight of TimTec1_000987?
The molecular weight of TimTec1_000987 is 303.14 g/mol.
Where can I buy TimTec1_000987?
You can request a quote for TimTec1_000987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000987?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.