DivK1c_005031
TL;DR: DivK1c_005031 (CAS 91403-79-1) is a chemical compound with molecular formula C23H29NO5S and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: DivK1c_005031, CDS1_003991, BAS 00609045, BIM-0017348.P001, AE-848/36913153
| Molecular Formula | C23H29NO5S |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 5.0632 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.17664 |
| Heavy Atoms | 30 |
| Complexity | 914.41986 |
Chemical Identifiers
| CAS Number | 91403-79-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC=C(C=C3)OCC(C)C |
Product Overview
DivK1c_005031 (CAS 91403-79-1), with molecular formula C23H29NO5S and molecular weight 431.18 g/mol. IUPAC: ethyl 5,5-dimethyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of DivK1c_005031
Property Insights of DivK1c_005031
The XLogP value of 5.0632 indicates that DivK1c_005031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005031. Following Lipinski's Rule of Five, DivK1c_005031 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DivK1c_005031?
The CAS number of DivK1c_005031 is 91403-79-1.
What is the molecular formula of DivK1c_005031?
The molecular formula of DivK1c_005031 is C23H29NO5S.
What is the molecular weight of DivK1c_005031?
The molecular weight of DivK1c_005031 is 431.18 g/mol.
Where can I buy DivK1c_005031?
You can request a quote for DivK1c_005031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005031?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.