BAS 12946013
TL;DR: BAS 12946013 (CAS 1093408-05-9) is a chemical compound with molecular formula C20H25NO8 and molecular weight 407.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl)amino]benzoate
Also Known As: BAS 12946013, VU0509402-1, VU0509402-2, F3114-0046, methyl 2-{4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-amido}benzoate
| Molecular Formula | C20H25NO8 |
|---|---|
| Molecular Weight | 407.16 g/mol |
| LogP | 1.8082 |
| Topological Polar Surface Area | 101.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.15802 |
| Heavy Atoms | 29 |
| Complexity | 822.45416 |
Chemical Identifiers
| CAS Number | 1093408-05-9 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)NC4=CC=CC=C4C(=O)OC)C |
Product Overview
BAS 12946013 (CAS 1093408-05-9), with molecular formula C20H25NO8 and molecular weight 407.16 g/mol. IUPAC: methyl 2-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl)amino]benzoate.
Chemical Property Profile of BAS 12946013
Property Insights of BAS 12946013
The XLogP value of 1.8082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12946013. The TPSA of 101.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12946013. Following Lipinski's Rule of Five, BAS 12946013 has 1 hydrogen bond donor(s) and 8 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 12946013?
The CAS number of BAS 12946013 is 1093408-05-9.
What is the molecular formula of BAS 12946013?
The molecular formula of BAS 12946013 is C20H25NO8.
What is the molecular weight of BAS 12946013?
The molecular weight of BAS 12946013 is 407.16 g/mol.
Where can I buy BAS 12946013?
You can request a quote for BAS 12946013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12946013?
Yes, KEHONG BIO provides custom synthesis services for BAS 12946013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.