BAS 00459083
TL;DR: BAS 00459083 (CAS 307974-59-0) is a chemical compound with molecular formula C18H29NO4 and molecular weight 323.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(dimethylamino)ethoxycarbonyl]-5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid
Also Known As: BAS 00459083, BRD-A91973386-001-01-7, 3-(2-dimethylaminoethyloxycarbonyl)-5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid, 3-{[2-(dimethylamino)ethoxy]carbonyl}-5,5-dimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenecarboxylic acid, 4-{[2-(dimethylamino)ethyl]oxycarbonyl}-7,7-dimethylbicyclo[4.4.0]dec-1(6)-ene -3-carboxylic acid
| Molecular Formula | C18H29NO4 |
|---|---|
| Molecular Weight | 323.21 g/mol |
| LogP | 2.7087 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.20966 |
| Heavy Atoms | 23 |
| Complexity | 507.15097 |
Chemical Identifiers
| CAS Number | 307974-59-0 |
|---|---|
| SMILES | CC1(CCCC2=C1CC(C(C2)C(=O)O)C(=O)OCCN(C)C)C |
Product Overview
BAS 00459083 (CAS 307974-59-0), with molecular formula C18H29NO4 and molecular weight 323.21 g/mol. IUPAC: 3-[2-(dimethylamino)ethoxycarbonyl]-5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid.
Chemical Property Profile of BAS 00459083
Property Insights of BAS 00459083
The XLogP value of 2.7087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00459083. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00459083. Following Lipinski's Rule of Five, BAS 00459083 has 1 hydrogen bond donor(s) and 4 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 00459083?
The CAS number of BAS 00459083 is 307974-59-0.
What is the molecular formula of BAS 00459083?
The molecular formula of BAS 00459083 is C18H29NO4.
What is the molecular weight of BAS 00459083?
The molecular weight of BAS 00459083 is 323.21 g/mol.
Where can I buy BAS 00459083?
You can request a quote for BAS 00459083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00459083?
Yes, KEHONG BIO provides custom synthesis services for BAS 00459083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.