AB00075349-01
TL;DR: AB00075349-01 (CAS 185409-72-7) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: AB00075349-01, AE-848/34411039, Methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate, methyl {[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate, methyl {[5-(anilinocarbonyl)-3-cyano-6-methyl-4-phenyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 3.92748 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1040.3679 |
Chemical Identifiers
| CAS Number | 185409-72-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 |
Product Overview
AB00075349-01 (CAS 185409-72-7), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of AB00075349-01
Property Insights of AB00075349-01
The XLogP value of 3.92748 indicates that AB00075349-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00075349-01. Following Lipinski's Rule of Five, AB00075349-01 has 2 hydrogen bond donor(s) and 6 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 AB00075349-01?
The CAS number of AB00075349-01 is 185409-72-7.
What is the molecular formula of AB00075349-01?
The molecular formula of AB00075349-01 is C23H21N3O3S.
What is the molecular weight of AB00075349-01?
The molecular weight of AB00075349-01 is 419.13 g/mol.
Where can I buy AB00075349-01?
You can request a quote for AB00075349-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00075349-01?
Yes, KEHONG BIO provides custom synthesis services for AB00075349-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.