![7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one structure](/static/products/3036/3036-16-6.webp)
7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one
TL;DR: 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one (CAS 3036-16-6) is a chemical compound with molecular formula C21H29NO3 and molecular weight 343.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-acetyl-2,17-dimethyl-15-oxa-5-azapentacyclo[9.8.0.02,8.012,17.014,16]nonadec-7-en-6-one
Also Known As: 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one
| Molecular Formula | C21H29NO3 |
|---|---|
| Molecular Weight | 343.21 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.21475 |
| Heavy Atoms | 25 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 3036-16-6 |
|---|---|
| SMILES | CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)NCCC45C)C |
| InChIKey | HXSVEEDSVVYVLJ-UHFFFAOYSA-N |
Product Overview
7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one (CAS 3036-16-6), with molecular formula C21H29NO3 and molecular weight 343.21 g/mol. IUPAC: 16-acetyl-2,17-dimethyl-15-oxa-5-azapentacyclo[9.8.0.02,8.012,17.014,16]nonadec-7-en-6-one.
Chemical Property Profile of 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one
Property Insights of 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one. With a topological polar surface area (TPSA) of 58.7 Ų, 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one has 1 hydrogen bond donor(s) and 3 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 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one?
The CAS number of 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one is 3036-16-6.
What is the molecular formula of 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one?
The molecular formula of 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one is C21H29NO3.
What is the molecular weight of 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one?
The molecular weight of 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one is 343.21 g/mol.
Where can I buy 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one?
You can request a quote for 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 7b-acetyl-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,7b,8a,9,9a,9b,10,11-tetradecahydrooxireno[3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.