ChemDiv1_008137
TL;DR: ChemDiv1_008137 (CAS 378788-75-1) is a chemical compound with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylpropanoic acid
Also Known As: ChemDiv1_008137, DivK1c_002777, CDS1_001737, AB00685679-01, AF-399/15539309
| Molecular Formula | C19H19N3O3S2 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 3.21234 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.0868 |
| Heavy Atoms | 27 |
| Complexity | 972.99524 |
Chemical Identifiers
| CAS Number | 378788-75-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)O)C |
Product Overview
ChemDiv1_008137 (CAS 378788-75-1), with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol. IUPAC: 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of ChemDiv1_008137
Property Insights of ChemDiv1_008137
The XLogP value of 3.21234 indicates that ChemDiv1_008137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008137. Following Lipinski's Rule of Five, ChemDiv1_008137 has 2 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 ChemDiv1_008137?
The CAS number of ChemDiv1_008137 is 378788-75-1.
What is the molecular formula of ChemDiv1_008137?
The molecular formula of ChemDiv1_008137 is C19H19N3O3S2.
What is the molecular weight of ChemDiv1_008137?
The molecular weight of ChemDiv1_008137 is 401.09 g/mol.
Where can I buy ChemDiv1_008137?
You can request a quote for ChemDiv1_008137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008137?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.