BAS 01030003
TL;DR: BAS 01030003 (CAS 5847-48-3) is a chemical compound with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-benzyl-3-methyl-4-(4-nitrophenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 01030003, AB00099114-01, 6-amino-1-benzyl-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1-benzyl-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-4-(4-nitrophenyl)-1-benzyl-4H-pyrano[3,2-d]pyrazole-5-carboni trile
| Molecular Formula | C21H17N5O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.3662 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.13315 |
| Heavy Atoms | 29 |
| Complexity | 1157.5225 |
Chemical Identifiers
| CAS Number | 5847-48-3 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4 |
Product Overview
BAS 01030003 (CAS 5847-48-3), with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol. IUPAC: 6-amino-1-benzyl-3-methyl-4-(4-nitrophenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 01030003
Property Insights of BAS 01030003
The XLogP value of 3.3662 indicates that BAS 01030003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01030003. Following Lipinski's Rule of Five, BAS 01030003 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 BAS 01030003?
The CAS number of BAS 01030003 is 5847-48-3.
What is the molecular formula of BAS 01030003?
The molecular formula of BAS 01030003 is C21H17N5O3.
What is the molecular weight of BAS 01030003?
The molecular weight of BAS 01030003 is 387.13 g/mol.
Where can I buy BAS 01030003?
You can request a quote for BAS 01030003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01030003?
Yes, KEHONG BIO provides custom synthesis services for BAS 01030003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.