DivK1c_005958
TL;DR: DivK1c_005958 (CAS 61580-66-3) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyrazine-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: DivK1c_005958, CDS1_004918, BIM-0036777.P001, AB00102679-01, METHYL 2-[(2-PYRAZINYLCARBONYL)AMINO]-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.8459 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 727.67175 |
Chemical Identifiers
| CAS Number | 61580-66-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NC=CN=C3 |
Product Overview
DivK1c_005958 (CAS 61580-66-3), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: methyl 2-(pyrazine-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of DivK1c_005958
Property Insights of DivK1c_005958
The XLogP value of 2.8459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DivK1c_005958. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005958. Following Lipinski's Rule of Five, DivK1c_005958 has 1 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 DivK1c_005958?
The CAS number of DivK1c_005958 is 61580-66-3.
What is the molecular formula of DivK1c_005958?
The molecular formula of DivK1c_005958 is C16H17N3O3S.
What is the molecular weight of DivK1c_005958?
The molecular weight of DivK1c_005958 is 331.10 g/mol.
Where can I buy DivK1c_005958?
You can request a quote for DivK1c_005958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005958?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.