BAS 01076506
TL;DR: BAS 01076506 (CAS 204775-53-1) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylic acid
Also Known As: BAS 01076506, AE-848/36913082, 1-AMINO-8,8-DIMETHYL-5-MORPHOLINO-8,9-DIHYDRO-6H-PYRANO[4,3-D]THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, 1-amino-8,8-dimethyl-5-(4-morpholinyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylic acid, 1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylic acid
| Molecular Formula | C17H21N3O4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 2.2646 |
| Topological Polar Surface Area | 97.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.12527 |
| Heavy Atoms | 25 |
| Complexity | 855.43036 |
Chemical Identifiers
| CAS Number | 204775-53-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C(=C(S3)C(=O)O)N)N4CCOCC4)C |
Product Overview
BAS 01076506 (CAS 204775-53-1), with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol. IUPAC: 3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylic acid.
Chemical Property Profile of BAS 01076506
Property Insights of BAS 01076506
The XLogP value of 2.2646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01076506. The TPSA of 97.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01076506. Following Lipinski's Rule of Five, BAS 01076506 has 2 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 01076506?
The CAS number of BAS 01076506 is 204775-53-1.
What is the molecular formula of BAS 01076506?
The molecular formula of BAS 01076506 is C17H21N3O4S.
What is the molecular weight of BAS 01076506?
The molecular weight of BAS 01076506 is 363.13 g/mol.
Where can I buy BAS 01076506?
You can request a quote for BAS 01076506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01076506?
Yes, KEHONG BIO provides custom synthesis services for BAS 01076506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.