Sdccgsbi-0097021.P001
TL;DR: Sdccgsbi-0097021.P001 (CAS 372181-82-3) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
Also Known As: SDCCGSBI-0097021.P001, 2-((3-benzyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, 2-({4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide, 2-[(3-benzyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.3526 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 1040.8018 |
Chemical Identifiers
| CAS Number | 372181-82-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC(=O)N)CC4=CC=CC=C4 |
Product Overview
Sdccgsbi-0097021.P001 (CAS 372181-82-3), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: 2-[(4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide.
Chemical Property Profile of Sdccgsbi-0097021.P001
Property Insights of Sdccgsbi-0097021.P001
The XLogP value of 3.3526 indicates that Sdccgsbi-0097021.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Sdccgsbi-0097021.P001. Following Lipinski's Rule of Five, Sdccgsbi-0097021.P001 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 Sdccgsbi-0097021.P001?
The CAS number of Sdccgsbi-0097021.P001 is 372181-82-3.
What is the molecular formula of Sdccgsbi-0097021.P001?
The molecular formula of Sdccgsbi-0097021.P001 is C20H21N3O2S2.
What is the molecular weight of Sdccgsbi-0097021.P001?
The molecular weight of Sdccgsbi-0097021.P001 is 399.11 g/mol.
Where can I buy Sdccgsbi-0097021.P001?
You can request a quote for Sdccgsbi-0097021.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sdccgsbi-0097021.P001?
Yes, KEHONG BIO provides custom synthesis services for Sdccgsbi-0097021.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.