DivK1c_006035
TL;DR: DivK1c_006035 (CAS 6102-08-5) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(methoxycarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: DivK1c_006035, CDS1_004995, BIM-0036512.P001, methyl 2-[(methoxycarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(methoxycarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 2.9819 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 495.07782 |
Chemical Identifiers
| CAS Number | 6102-08-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)OC |
Product Overview
DivK1c_006035 (CAS 6102-08-5), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: methyl 2-(methoxycarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of DivK1c_006035
Property Insights of DivK1c_006035
The XLogP value of 2.9819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DivK1c_006035. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_006035. Following Lipinski's Rule of Five, DivK1c_006035 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 DivK1c_006035?
The CAS number of DivK1c_006035 is 6102-08-5.
What is the molecular formula of DivK1c_006035?
The molecular formula of DivK1c_006035 is C13H17NO4S.
What is the molecular weight of DivK1c_006035?
The molecular weight of DivK1c_006035 is 283.09 g/mol.
Where can I buy DivK1c_006035?
You can request a quote for DivK1c_006035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_006035?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_006035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.