O-1057 free base
TL;DR: O-1057 free base (CAS 216988-52-2) is a chemical compound with molecular formula C32H46N2O4 and molecular weight 522.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,10aR)-3-(6-cyano-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate
Also Known As: O-1057 free base, J1.313.630K, (6aR,10aR)-3-(6-Cyano-2-methylhexan-2-yl)-6,6,9-trimethyl-6H,6ah,7H,10H,10ah-benzo(C)isochromen-1-yl 4-(morpholin-4-yl)butanoate, 4-Morpholinebutanoic acid, (6aR,10aR)-3-(5-cyano-1,1-dimethylpentyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran-1-yl ester, (6aR,10aR)-3-(6-cyano-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl 4-morpholinobutanoate
| Molecular Formula | C32H46N2O4 |
|---|---|
| Molecular Weight | 522.35 g/mol |
| LogP | 6.67688 |
| Topological Polar Surface Area | 71.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.34576 |
| Heavy Atoms | 38 |
| Complexity | 1061.9532 |
Chemical Identifiers
| CAS Number | 216988-52-2 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC(=O)CCCN4CCOCC4)C(C)(C)CCCCC#N)OC2(C)C |
Product Overview
O-1057 free base (CAS 216988-52-2), with molecular formula C32H46N2O4 and molecular weight 522.35 g/mol. IUPAC: [(6aR,10aR)-3-(6-cyano-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate.
Chemical Property Profile of O-1057 free base
Property Insights of O-1057 free base
The XLogP value of 6.67688 indicates that O-1057 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.79 Ų falls within the moderate polarity range, balancing permeability and solubility for O-1057 free base. Following Lipinski's Rule of Five, O-1057 free base has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-1057 free base?
The CAS number of O-1057 free base is 216988-52-2.
What is the molecular formula of O-1057 free base?
The molecular formula of O-1057 free base is C32H46N2O4.
What is the molecular weight of O-1057 free base?
The molecular weight of O-1057 free base is 522.35 g/mol.
Where can I buy O-1057 free base?
You can request a quote for O-1057 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-1057 free base?
Yes, KEHONG BIO provides custom synthesis services for O-1057 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.