![7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one structure](/static/products/5419/54196-21-3.webp)
7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one
TL;DR: 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one (CAS 54196-21-3) is a chemical compound with molecular formula C27H42N4O and molecular weight 438.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,17-dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,8-trien-10-one
Also Known As: 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one, 12a,14a-Dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,11,12,12a,12b,13,14,14a-dodecahydroindeno[5,4-a]tetrazolo[1,5-c][3]benzazepin-10(8H)-one, 13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,8-trien-10-one
| Molecular Formula | C27H42N4O |
|---|---|
| Molecular Weight | 438.34 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.33588 |
| Heavy Atoms | 32 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 54196-21-3 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2N4C(=NN=N4)CC5=CC(=O)CCC35C)C |
| InChIKey | NZYZCSCPYJGNCQ-UHFFFAOYSA-N |
Product Overview
7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one (CAS 54196-21-3), with molecular formula C27H42N4O and molecular weight 438.34 g/mol. IUPAC: 13,17-dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,8-trien-10-one.
Chemical Property Profile of 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one
Property Insights of 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one
The XLogP value of 6.6 indicates that 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one. Following Lipinski's Rule of Five, 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one?
The CAS number of 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one is 54196-21-3.
What is the molecular formula of 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one?
The molecular formula of 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one is C27H42N4O.
What is the molecular weight of 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one?
The molecular weight of 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one is 438.34 g/mol.
Where can I buy 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one?
You can request a quote for 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7a-aza-7a-homo-cholest-4-eno[7a,7-d]tetrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.