氧代卡拉诺内酯
TL;DR: 氧代卡拉诺内酯 (CAS 161753-49-7) is a chemical compound with molecular formula C22H24O5 and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氧代卡拉诺内酯
10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
Also Known As: oxocalanolide, 12-Oxocalanolide, 12-Oxocalanolide A, (+)-12-Oxocalanolide A, (16R,17R)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
| Molecular Formula | C22H24O5 |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.16238 |
| Heavy Atoms | 27 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 161753-49-7 |
|---|---|
| SMILES | CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)C(C(O4)C)C |
| InChIKey | HQVBDUZROQMWRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氧代卡拉诺内酯 (CAS 161753-49-7), with molecular formula C22H24O5 and molecular weight 368.16 g/mol. IUPAC: 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione.
Chemical Property Profile of 氧代卡拉诺内酯
Property Insights of 氧代卡拉诺内酯
The XLogP value of 4.2 indicates that 氧代卡拉诺内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 氧代卡拉诺内酯. Following Lipinski's Rule of Five, 氧代卡拉诺内酯 has 0 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 氧代卡拉诺内酯?
The CAS number of 氧代卡拉诺内酯 is 161753-49-7.
What is the molecular formula of 氧代卡拉诺内酯?
The molecular formula of 氧代卡拉诺内酯 is C22H24O5.
What is the molecular weight of 氧代卡拉诺内酯?
The molecular weight of 氧代卡拉诺内酯 is 368.16 g/mol.
Where can I buy 氧代卡拉诺内酯?
You can request a quote for 氧代卡拉诺内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氧代卡拉诺内酯?
Yes, KEHONG BIO provides custom synthesis services for 氧代卡拉诺内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.