A3949/0168234
TL;DR: A3949/0168234 (CAS 889953-30-4) is a chemical compound with molecular formula C27H32N6O5S2 and molecular weight 584.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A3949/0168234, 2-(4-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-({[3-(ETHOXYCARBONYL)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBOTHIOYL)PIPERAZINO]-8-ETHYL-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2-[4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-[[[3-(Ethoxycarbonyl)-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-2-yl]amino]thioxomethyl]-1-piperazinyl]-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C27H32N6O5S2 |
|---|---|
| Molecular Weight | 584.19 g/mol |
| LogP | 3.3916 |
| Topological Polar Surface Area | 129.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 584.18756 |
| Heavy Atoms | 40 |
| Complexity | 1542.3771 |
Chemical Identifiers
| CAS Number | 889953-30-4 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OCC)C(=O)O |
Product Overview
A3949/0168234 (CAS 889953-30-4), with molecular formula C27H32N6O5S2 and molecular weight 584.19 g/mol. IUPAC: 2-[4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A3949/0168234
Property Insights of A3949/0168234
The XLogP value of 3.3916 indicates that A3949/0168234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A3949/0168234. Following Lipinski's Rule of Five, A3949/0168234 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3949/0168234?
The CAS number of A3949/0168234 is 889953-30-4.
What is the molecular formula of A3949/0168234?
The molecular formula of A3949/0168234 is C27H32N6O5S2.
What is the molecular weight of A3949/0168234?
The molecular weight of A3949/0168234 is 584.19 g/mol.
Where can I buy A3949/0168234?
You can request a quote for A3949/0168234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3949/0168234?
Yes, KEHONG BIO provides custom synthesis services for A3949/0168234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.