AB00114769-01
TL;DR: AB00114769-01 (CAS 384359-67-5) is a chemical compound with molecular formula C23H27NO6S and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AB00114769-01, dimethyl 2-{[(4-isopropyl-3-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-{2-[3-METHYL-4-(PROPAN-2-YL)PHENOXY]ACETAMIDO}-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE, dimethyl 2-({[3-methyl-4-(propan-2-yl)phenoxy]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-(2-(4-isopropyl-3-methylphenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C23H27NO6S |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 4.18682 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.1559 |
| Heavy Atoms | 31 |
| Complexity | 1009.7359 |
Chemical Identifiers
| CAS Number | 384359-67-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)C(C)C |
Product Overview
AB00114769-01 (CAS 384359-67-5), with molecular formula C23H27NO6S and molecular weight 445.16 g/mol. IUPAC: dimethyl 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AB00114769-01
Property Insights of AB00114769-01
The XLogP value of 4.18682 indicates that AB00114769-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114769-01. Following Lipinski's Rule of Five, AB00114769-01 has 1 hydrogen bond donor(s) and 7 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 AB00114769-01?
The CAS number of AB00114769-01 is 384359-67-5.
What is the molecular formula of AB00114769-01?
The molecular formula of AB00114769-01 is C23H27NO6S.
What is the molecular weight of AB00114769-01?
The molecular weight of AB00114769-01 is 445.16 g/mol.
Where can I buy AB00114769-01?
You can request a quote for AB00114769-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114769-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114769-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.