ChemDiv2_006178
TL;DR: ChemDiv2_006178 (CAS 851410-50-9) is a chemical compound with molecular formula C16H17N3O2S2 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv2_006178, IDI1_004893, AB00429630-05, F0612-0346, 2-({3-benzyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
| Molecular Formula | C16H17N3O2S2 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 1.9057 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.07623 |
| Heavy Atoms | 23 |
| Complexity | 789.90265 |
Chemical Identifiers
| CAS Number | 851410-50-9 |
|---|---|
| SMILES | CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N)CC3=CC=CC=C3 |
Product Overview
ChemDiv2_006178 (CAS 851410-50-9), with molecular formula C16H17N3O2S2 and molecular weight 347.08 g/mol. IUPAC: 2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv2_006178
Property Insights of ChemDiv2_006178
The XLogP value of 1.9057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006178. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006178. Following Lipinski's Rule of Five, ChemDiv2_006178 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 ChemDiv2_006178?
The CAS number of ChemDiv2_006178 is 851410-50-9.
What is the molecular formula of ChemDiv2_006178?
The molecular formula of ChemDiv2_006178 is C16H17N3O2S2.
What is the molecular weight of ChemDiv2_006178?
The molecular weight of ChemDiv2_006178 is 347.08 g/mol.
Where can I buy ChemDiv2_006178?
You can request a quote for ChemDiv2_006178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006178?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.