AF-399/41702979
TL;DR: AF-399/41702979 (CAS 608121-57-9) is a chemical compound with molecular formula C22H22Cl2N2O3S2 and molecular weight 496.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide
Also Known As: AF-399/41702979, 3,4-dichloro-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide, 3,4-dichloro-N-(3-{[(3-methoxypropyl)amino]carbonyl}-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-benzothiophene-2-carboxamide, 3,4-dichloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide
| Molecular Formula | C22H22Cl2N2O3S2 |
|---|---|
| Molecular Weight | 496.04 g/mol |
| LogP | 6.167 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.0449 |
| Heavy Atoms | 31 |
| Complexity | 1139.6715 |
Chemical Identifiers
| CAS Number | 608121-57-9 |
|---|---|
| SMILES | COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl |
Product Overview
AF-399/41702979 (CAS 608121-57-9), with molecular formula C22H22Cl2N2O3S2 and molecular weight 496.04 g/mol. IUPAC: 3,4-dichloro-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AF-399/41702979
Property Insights of AF-399/41702979
The XLogP value of 6.167 indicates that AF-399/41702979 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41702979. Following Lipinski's Rule of Five, AF-399/41702979 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 AF-399/41702979?
The CAS number of AF-399/41702979 is 608121-57-9.
What is the molecular formula of AF-399/41702979?
The molecular formula of AF-399/41702979 is C22H22Cl2N2O3S2.
What is the molecular weight of AF-399/41702979?
The molecular weight of AF-399/41702979 is 496.04 g/mol.
Where can I buy AF-399/41702979?
You can request a quote for AF-399/41702979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41702979?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41702979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.