BAS 13251968
TL;DR: BAS 13251968 (CAS 1005036-74-7) is a chemical compound with molecular formula C25H29NO6 and molecular weight 439.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(3,4-diethoxyphenyl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylic acid
Also Known As: BAS 13251968, 3-[2-(3,4-Diethoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2-methyl-4-oxo-2,6-methano-2H-1,3-benzoxazocine-5-carboxylic acid, A4016/0171254, 10-[2-(3,4-diethoxyphenyl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxylic acid, 10-[2-(3,4-diethoxyphenyl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylic acid
| Molecular Formula | C25H29NO6 |
|---|---|
| Molecular Weight | 439.20 g/mol |
| LogP | 3.852 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.1995 |
| Heavy Atoms | 32 |
| Complexity | 1021.24176 |
Chemical Identifiers
| CAS Number | 1005036-74-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C(=O)C(C3CC2(OC4=CC=CC=C34)C)C(=O)O)OCC |
Product Overview
BAS 13251968 (CAS 1005036-74-7), with molecular formula C25H29NO6 and molecular weight 439.20 g/mol. IUPAC: 10-[2-(3,4-diethoxyphenyl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylic acid.
Chemical Property Profile of BAS 13251968
Property Insights of BAS 13251968
The XLogP value of 3.852 indicates that BAS 13251968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13251968. Following Lipinski's Rule of Five, BAS 13251968 has 1 hydrogen bond donor(s) and 5 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 13251968?
The CAS number of BAS 13251968 is 1005036-74-7.
What is the molecular formula of BAS 13251968?
The molecular formula of BAS 13251968 is C25H29NO6.
What is the molecular weight of BAS 13251968?
The molecular weight of BAS 13251968 is 439.20 g/mol.
Where can I buy BAS 13251968?
You can request a quote for BAS 13251968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13251968?
Yes, KEHONG BIO provides custom synthesis services for BAS 13251968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.