ChemDiv2_000897
TL;DR: ChemDiv2_000897 (CAS 381202-74-0) is a chemical compound with molecular formula C16H19N5S and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-imine
Also Known As: ChemDiv2_000897, BAS 03072488, AB00109504-01, AE-848/40773152, 3-[3-(1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-imine
| Molecular Formula | C16H19N5S |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1361 |
| Heavy Atoms | 22 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 381202-74-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN(C3=N)CCCN4C=CN=C4 |
| InChIKey | XWDARGHORPNZSN-UHFFFAOYSA-N |
Product Overview
ChemDiv2_000897 (CAS 381202-74-0), with molecular formula C16H19N5S and molecular weight 313.14 g/mol. IUPAC: 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-imine.
Chemical Property Profile of ChemDiv2_000897
Property Insights of ChemDiv2_000897
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_000897. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_000897. Following Lipinski's Rule of Five, ChemDiv2_000897 has 1 hydrogen bond donor(s) and 4 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_000897?
The CAS number of ChemDiv2_000897 is 381202-74-0.
What is the molecular formula of ChemDiv2_000897?
The molecular formula of ChemDiv2_000897 is C16H19N5S.
What is the molecular weight of ChemDiv2_000897?
The molecular weight of ChemDiv2_000897 is 313.14 g/mol.
Where can I buy ChemDiv2_000897?
You can request a quote for ChemDiv2_000897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000897?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.