ASN 05110587
TL;DR: ASN 05110587 (CAS 579518-87-9) is a chemical compound with molecular formula C29H23ClN2O5S and molecular weight 546.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-benzothiophene-2-carboxamide
Also Known As: ASN 05110587, 3-Chloro-N-(4-methoxybenzyl)-N-[(8-oxo-2,3,8,9-tetrahydronaphtho[2,3-b][1,4]dioxin-7-yl)methyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-benzothiophene-2-carboxamide, BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-[(4-METHOXYPHENYL)METHYL]-N-[(2,3,6,7-TETRAHYDRO-7-OXO-1,4-DIOXINO[2,3-G]QUINOLIN-8-YL)METHYL]-
| Molecular Formula | C29H23ClN2O5S |
|---|---|
| Molecular Weight | 546.10 g/mol |
| LogP | 6.0186 |
| Topological Polar Surface Area | 80.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.1016 |
| Heavy Atoms | 38 |
| Complexity | 1727.68 |
Chemical Identifiers
| CAS Number | 579518-87-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN(CC2=CC3=CC4=C(C=C3NC2=O)OCCO4)C(=O)C5=C(C6=CC=CC=C6S5)Cl |
Product Overview
ASN 05110587 (CAS 579518-87-9), with molecular formula C29H23ClN2O5S and molecular weight 546.10 g/mol. IUPAC: 3-chloro-N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ASN 05110587
Property Insights of ASN 05110587
The XLogP value of 6.0186 indicates that ASN 05110587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 05110587. Following Lipinski's Rule of Five, ASN 05110587 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 ASN 05110587?
The CAS number of ASN 05110587 is 579518-87-9.
What is the molecular formula of ASN 05110587?
The molecular formula of ASN 05110587 is C29H23ClN2O5S.
What is the molecular weight of ASN 05110587?
The molecular weight of ASN 05110587 is 546.10 g/mol.
Where can I buy ASN 05110587?
You can request a quote for ASN 05110587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 05110587?
Yes, KEHONG BIO provides custom synthesis services for ASN 05110587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.