C17H17Cl2NO3S
TL;DR: C17H17Cl2NO3S (CAS 380644-30-4) is a chemical compound with molecular formula C17H17Cl2NO3S and molecular weight 385.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-848/12530133, ethyl 2-[(3,5-dichloro-2-hydroxybenzyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-((3,5-dichloro-2-hydroxybenzyl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H17Cl2NO3S |
|---|---|
| Molecular Weight | 385.03 g/mol |
| LogP | 5.038 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.0306 |
| Heavy Atoms | 24 |
| Complexity | 788.62823 |
Chemical Identifiers
| CAS Number | 380644-30-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NCC3=C(C(=CC(=C3)Cl)Cl)O |
Product Overview
C17H17Cl2NO3S (CAS 380644-30-4), with molecular formula C17H17Cl2NO3S and molecular weight 385.03 g/mol. IUPAC: ethyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of C17H17Cl2NO3S
Property Insights of C17H17Cl2NO3S
The XLogP value of 5.038 indicates that C17H17Cl2NO3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, C17H17Cl2NO3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H17Cl2NO3S has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C17H17Cl2NO3S?
The CAS number of C17H17Cl2NO3S is 380644-30-4.
What is the molecular formula of C17H17Cl2NO3S?
The molecular formula of C17H17Cl2NO3S is C17H17Cl2NO3S.
What is the molecular weight of C17H17Cl2NO3S?
The molecular weight of C17H17Cl2NO3S is 385.03 g/mol.
Where can I buy C17H17Cl2NO3S?
You can request a quote for C17H17Cl2NO3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H17Cl2NO3S?
Yes, KEHONG BIO provides custom synthesis services for C17H17Cl2NO3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.