BAS 05044537
TL;DR: BAS 05044537 (CAS 436811-01-7) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5S,6S,7S)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: BAS 05044537, 3-Isopropyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.2614 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 430.22156 |
Chemical Identifiers
| CAS Number | 436811-01-7 |
|---|---|
| SMILES | CC(C)N1C[C@]23C=C[C@H](O2)[C@H]([C@@H]3C1=O)C(=O)O |
Product Overview
BAS 05044537 (CAS 436811-01-7), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: (1R,5S,6S,7S)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of BAS 05044537
Property Insights of BAS 05044537
The XLogP value of 0.2614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05044537. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05044537. Following Lipinski's Rule of Five, BAS 05044537 has 1 hydrogen bond donor(s) and 3 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 05044537?
The CAS number of BAS 05044537 is 436811-01-7.
What is the molecular formula of BAS 05044537?
The molecular formula of BAS 05044537 is C12H15NO4.
What is the molecular weight of BAS 05044537?
The molecular weight of BAS 05044537 is 237.10 g/mol.
Where can I buy BAS 05044537?
You can request a quote for BAS 05044537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05044537?
Yes, KEHONG BIO provides custom synthesis services for BAS 05044537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.