BAS 04996101
TL;DR: BAS 04996101 (CAS 842964-31-2) is a chemical compound with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04996101, 6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-IMINO-1-(3-METHOXYPROPYL)-8-METHYL-5-OXO-N-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, 2-imino-1-(3-methoxypropyl)-8-methyl-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C22H27N5O4 |
|---|---|
| Molecular Weight | 425.21 g/mol |
| LogP | 1.38239 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.2063 |
| Heavy Atoms | 31 |
| Complexity | 1240.587 |
Chemical Identifiers
| CAS Number | 842964-31-2 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NCC4CCCO4)C=C1 |
Product Overview
BAS 04996101 (CAS 842964-31-2), with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol. IUPAC: 6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04996101
Property Insights of BAS 04996101
The XLogP value of 1.38239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996101. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996101. Following Lipinski's Rule of Five, BAS 04996101 has 2 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 04996101?
The CAS number of BAS 04996101 is 842964-31-2.
What is the molecular formula of BAS 04996101?
The molecular formula of BAS 04996101 is C22H27N5O4.
What is the molecular weight of BAS 04996101?
The molecular weight of BAS 04996101 is 425.21 g/mol.
Where can I buy BAS 04996101?
You can request a quote for BAS 04996101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996101?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.