AB00672583-01
TL;DR: AB00672583-01 (CAS 419558-42-2) is a chemical compound with molecular formula C18H18Cl2N2O3S and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: AB00672583-01, F0806-0418, 2-(2-(2,4-dichlorophenoxy)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[2-(2,4-DICHLOROPHENOXY)ACETAMIDO]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE, 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C18H18Cl2N2O3S |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 4.4402 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0415 |
| Heavy Atoms | 26 |
| Complexity | 851.202 |
Chemical Identifiers
| CAS Number | 419558-42-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)COC3=C(C=C(C=C3)Cl)Cl |
Product Overview
AB00672583-01 (CAS 419558-42-2), with molecular formula C18H18Cl2N2O3S and molecular weight 412.04 g/mol. IUPAC: 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of AB00672583-01
Property Insights of AB00672583-01
The XLogP value of 4.4402 indicates that AB00672583-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672583-01. Following Lipinski's Rule of Five, AB00672583-01 has 2 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 AB00672583-01?
The CAS number of AB00672583-01 is 419558-42-2.
What is the molecular formula of AB00672583-01?
The molecular formula of AB00672583-01 is C18H18Cl2N2O3S.
What is the molecular weight of AB00672583-01?
The molecular weight of AB00672583-01 is 412.04 g/mol.
Where can I buy AB00672583-01?
You can request a quote for AB00672583-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672583-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672583-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.