UPCMLD0ENAT0503-2020:001
TL;DR: UPCMLD0ENAT0503-2020:001 (CAS 299950-96-2) is a chemical compound with molecular formula C21H27NO3S and molecular weight 373.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(adamantane-1-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0503-2020:001, ethyl 2-((3r,5r,7r)-adamantane-1-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, F0016-0699, F0863-0144, ethyl 2-(adamantane-1-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C21H27NO3S |
|---|---|
| Molecular Weight | 373.17 g/mol |
| LogP | 4.5684 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.17117 |
| Heavy Atoms | 26 |
| Complexity | 730.26666 |
Chemical Identifiers
| CAS Number | 299950-96-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
UPCMLD0ENAT0503-2020:001 (CAS 299950-96-2), with molecular formula C21H27NO3S and molecular weight 373.17 g/mol. IUPAC: ethyl 2-(adamantane-1-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0503-2020:001
Property Insights of UPCMLD0ENAT0503-2020:001
The XLogP value of 4.5684 indicates that UPCMLD0ENAT0503-2020:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, UPCMLD0ENAT0503-2020:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0503-2020:001 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 UPCMLD0ENAT0503-2020:001?
The CAS number of UPCMLD0ENAT0503-2020:001 is 299950-96-2.
What is the molecular formula of UPCMLD0ENAT0503-2020:001?
The molecular formula of UPCMLD0ENAT0503-2020:001 is C21H27NO3S.
What is the molecular weight of UPCMLD0ENAT0503-2020:001?
The molecular weight of UPCMLD0ENAT0503-2020:001 is 373.17 g/mol.
Where can I buy UPCMLD0ENAT0503-2020:001?
You can request a quote for UPCMLD0ENAT0503-2020:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0503-2020:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0503-2020:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.