ASN 05103617
TL;DR: ASN 05103617 (CAS 579451-36-8) is a chemical compound with molecular formula C27H22ClN3O2S and molecular weight 487.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
Also Known As: ASN 05103617, 3-chloro-N-[(1,2-dihydro-7,8-dimethyl-2-oxo-3-quinolinyl)methyl]-N-(3-pyridinylmethyl)-Benzo[b]thiophene-2-carboxamide, 3-Chloro-N-[(7,8-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide, 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide, BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-[(1,2-DIHYDRO-7,8-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-N-(3-PYRIDINYLMETHYL)-
| Molecular Formula | C27H22ClN3O2S |
|---|---|
| Molecular Weight | 487.11 g/mol |
| LogP | 6.25064 |
| Topological Polar Surface Area | 66.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.11212 |
| Heavy Atoms | 34 |
| Complexity | 1590.9258 |
Chemical Identifiers
| CAS Number | 579451-36-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl)C |
Product Overview
ASN 05103617 (CAS 579451-36-8), with molecular formula C27H22ClN3O2S and molecular weight 487.11 g/mol. IUPAC: 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ASN 05103617
Property Insights of ASN 05103617
The XLogP value of 6.25064 indicates that ASN 05103617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 05103617. Following Lipinski's Rule of Five, ASN 05103617 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ASN 05103617?
The CAS number of ASN 05103617 is 579451-36-8.
What is the molecular formula of ASN 05103617?
The molecular formula of ASN 05103617 is C27H22ClN3O2S.
What is the molecular weight of ASN 05103617?
The molecular weight of ASN 05103617 is 487.11 g/mol.
Where can I buy ASN 05103617?
You can request a quote for ASN 05103617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 05103617?
Yes, KEHONG BIO provides custom synthesis services for ASN 05103617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.