AB01304422-01
TL;DR: AB01304422-01 (CAS 900263-26-5) is a chemical compound with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(7-anilino-8-cyano-11,11-dimethyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]acetate
Also Known As: AB01304422-01, methyl {[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetate, methyl 2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)acetate
| Molecular Formula | C21H21N5O3S |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 3.46098 |
| Topological Polar Surface Area | 101.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1365 |
| Heavy Atoms | 30 |
| Complexity | 1151.1436 |
Chemical Identifiers
| CAS Number | 900263-26-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCC(=O)OC)C |
Product Overview
AB01304422-01 (CAS 900263-26-5), with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol. IUPAC: methyl 2-[(7-anilino-8-cyano-11,11-dimethyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]acetate.
Chemical Property Profile of AB01304422-01
Property Insights of AB01304422-01
The XLogP value of 3.46098 indicates that AB01304422-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01304422-01. Following Lipinski's Rule of Five, AB01304422-01 has 1 hydrogen bond donor(s) and 8 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 AB01304422-01?
The CAS number of AB01304422-01 is 900263-26-5.
What is the molecular formula of AB01304422-01?
The molecular formula of AB01304422-01 is C21H21N5O3S.
What is the molecular weight of AB01304422-01?
The molecular weight of AB01304422-01 is 423.14 g/mol.
Where can I buy AB01304422-01?
You can request a quote for AB01304422-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01304422-01?
Yes, KEHONG BIO provides custom synthesis services for AB01304422-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.