BAS 01105186
TL;DR: BAS 01105186 (CAS 354550-65-5) is a chemical compound with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 01105186, 6-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, A2132/0089541, 6-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 354550-65-5 |
|---|---|
| SMILES | CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=CC=CC=N4 |
| InChIKey | ACKFVLRYTHEWLT-UHFFFAOYSA-N |
Product Overview
BAS 01105186 (CAS 354550-65-5), with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol. IUPAC: 6-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 01105186
Property Insights of BAS 01105186
The XLogP value of 3.6 indicates that BAS 01105186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01105186. Following Lipinski's Rule of Five, BAS 01105186 has 2 hydrogen bond donor(s) and 7 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 BAS 01105186?
The CAS number of BAS 01105186 is 354550-65-5.
What is the molecular formula of BAS 01105186?
The molecular formula of BAS 01105186 is C21H19N5O2S.
What is the molecular weight of BAS 01105186?
The molecular weight of BAS 01105186 is 405.13 g/mol.
Where can I buy BAS 01105186?
You can request a quote for BAS 01105186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01105186?
Yes, KEHONG BIO provides custom synthesis services for BAS 01105186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.