A2738/0116280
TL;DR: A2738/0116280 (CAS 497077-79-9) is a chemical compound with molecular formula C22H23N5O and molecular weight 373.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyl)-6-amino-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: A2738/0116280, 3-(1-adamantyl)-6-amino-4-pyridin-3-yl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 3-(1-adamantyl)-6-amino-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 3-Adamantan-1-yl-6-amino-4-pyridin-3-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile, 3-adamantanyl-6-amino-4-(3-pyridyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
| Molecular Formula | C22H23N5O |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.19025 |
| Heavy Atoms | 28 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 497077-79-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=C5C(C(=C(OC5=NN4)N)C#N)C6=CN=CC=C6 |
| InChIKey | WPVDBIGRHNTXDR-UHFFFAOYSA-N |
Product Overview
A2738/0116280 (CAS 497077-79-9), with molecular formula C22H23N5O and molecular weight 373.19 g/mol. IUPAC: 3-(1-adamantyl)-6-amino-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of A2738/0116280
Property Insights of A2738/0116280
The XLogP value of 3.7 indicates that A2738/0116280 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2738/0116280. Following Lipinski's Rule of Five, A2738/0116280 has 2 hydrogen bond donor(s) and 5 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 A2738/0116280?
The CAS number of A2738/0116280 is 497077-79-9.
What is the molecular formula of A2738/0116280?
The molecular formula of A2738/0116280 is C22H23N5O.
What is the molecular weight of A2738/0116280?
The molecular weight of A2738/0116280 is 373.19 g/mol.
Where can I buy A2738/0116280?
You can request a quote for A2738/0116280 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2738/0116280?
Yes, KEHONG BIO provides custom synthesis services for A2738/0116280 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.