BIM-0049199.P001
TL;DR: BIM-0049199.P001 (CAS 313702-97-5) is a chemical compound with molecular formula C22H18N4O3 and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-4-yl)benzoate
Also Known As: BIM-0049199.P001, methyl 4-(6-amino-5-cyano-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate, methyl 4-(6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl)benzoate
| Molecular Formula | C22H18N4O3 |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 3.1855 |
| Topological Polar Surface Area | 103.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.13788 |
| Heavy Atoms | 29 |
| Complexity | 1155.2632 |
Chemical Identifiers
| CAS Number | 313702-97-5 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4 |
Product Overview
BIM-0049199.P001 (CAS 313702-97-5), with molecular formula C22H18N4O3 and molecular weight 386.14 g/mol. IUPAC: methyl 4-(6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-4-yl)benzoate.
Chemical Property Profile of BIM-0049199.P001
Property Insights of BIM-0049199.P001
The XLogP value of 3.1855 indicates that BIM-0049199.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049199.P001. Following Lipinski's Rule of Five, BIM-0049199.P001 has 1 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 BIM-0049199.P001?
The CAS number of BIM-0049199.P001 is 313702-97-5.
What is the molecular formula of BIM-0049199.P001?
The molecular formula of BIM-0049199.P001 is C22H18N4O3.
What is the molecular weight of BIM-0049199.P001?
The molecular weight of BIM-0049199.P001 is 386.14 g/mol.
Where can I buy BIM-0049199.P001?
You can request a quote for BIM-0049199.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049199.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049199.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.