![(1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione structure](/static/products/5516/55164-63-1.webp)
(1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione
TL;DR: (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione (CAS 55164-63-1) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,6R,8R,9R)-4-(hydroxymethyl)-12-propan-2-ylidene-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione
Also Known As: (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione, (1R,2S,4S,6R,8R,9R)-4-(hydroxymethyl)-12-propan-2-ylidene-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 55164-63-1 |
|---|---|
| SMILES | CC(=C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)[C@H]4[C@@](C3=O)(O4)CO)C |
| InChIKey | AFCPPFFSVWTLEO-FWZWAETFSA-N |
Product Overview
(1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione (CAS 55164-63-1), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: (1R,2S,4S,6R,8R,9R)-4-(hydroxymethyl)-12-propan-2-ylidene-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione.
Chemical Property Profile of (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione
Property Insights of (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione. Following Lipinski's Rule of Five, (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione 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 (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione?
The CAS number of (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione is 55164-63-1.
What is the molecular formula of (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione?
The molecular formula of (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione is C15H16O4.
What is the molecular weight of (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione?
The molecular weight of (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione is 260.10 g/mol.
Where can I buy (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione?
You can request a quote for (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione?
Yes, KEHONG BIO provides custom synthesis services for (1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.