BAS 12945996
TL;DR: BAS 12945996 (CAS 1093407-93-2) is a chemical compound with molecular formula C19H24ClNO7 and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
Also Known As: BAS 12945996, VU0509394-1, VU0509394-2, AT-057/43469458, F3114-0035
| Molecular Formula | C19H24ClNO7 |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 2.6836 |
| Topological Polar Surface Area | 84.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.1241 |
| Heavy Atoms | 28 |
| Complexity | 783.5457 |
Chemical Identifiers
| CAS Number | 1093407-93-2 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)NC4=C(C=CC(=C4)Cl)OC)C |
Product Overview
BAS 12945996 (CAS 1093407-93-2), with molecular formula C19H24ClNO7 and molecular weight 413.12 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
Chemical Property Profile of BAS 12945996
Property Insights of BAS 12945996
The XLogP value of 2.6836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12945996. The TPSA of 84.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12945996. Following Lipinski's Rule of Five, BAS 12945996 has 1 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 12945996?
The CAS number of BAS 12945996 is 1093407-93-2.
What is the molecular formula of BAS 12945996?
The molecular formula of BAS 12945996 is C19H24ClNO7.
What is the molecular weight of BAS 12945996?
The molecular weight of BAS 12945996 is 413.12 g/mol.
Where can I buy BAS 12945996?
You can request a quote for BAS 12945996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12945996?
Yes, KEHONG BIO provides custom synthesis services for BAS 12945996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.