3-Aza-A-homocholestan-4-one, (5alpha)-
TL;DR: 3-Aza-A-homocholestan-4-one, (5alpha)- (CAS 20283-99-2) is a chemical compound with molecular formula C27H47NO and molecular weight 401.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,16-dimethyl-15-(6-methylheptan-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-6-one
Also Known As: 3-Aza-A-homocholestan-4-one, (5.alpha.)-, 3-Aza-A-homocholestan-4-one, (5alpha)-, Cyclopenta[5,6]naphth[1,2-d]azepin-2(1H)-one, 8.beta.-(1,5-dimethylhexyl)-3,4,5,5a,5b.alpha.,6,7,7a,8,9,10,10a.alpha.,10b.beta.,11,12,12a.alpha.-hexadecahydro-5a.beta.,7a.beta.-dimethyl-, 5a,7a-Dimethyl-8-(6-methylheptan-2-yl)hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(1H)-one, 8-(1,5-Dimethylhexyl)-5a,7a-dimethylhexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(1H)-one #
| Molecular Formula | C27H47NO |
|---|---|
| Molecular Weight | 401.37 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.36575 |
| Heavy Atoms | 29 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 20283-99-2 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCNC(=O)C4)C)C |
| InChIKey | QJSFAHRXRVJDII-UHFFFAOYSA-N |
Product Overview
3-Aza-A-homocholestan-4-one, (5alpha)- (CAS 20283-99-2), with molecular formula C27H47NO and molecular weight 401.37 g/mol. IUPAC: 2,16-dimethyl-15-(6-methylheptan-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-6-one.
Chemical Property Profile of 3-Aza-A-homocholestan-4-one, (5alpha)-
Property Insights of 3-Aza-A-homocholestan-4-one, (5alpha)-
The XLogP value of 8.5 indicates that 3-Aza-A-homocholestan-4-one, (5alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Aza-A-homocholestan-4-one, (5alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aza-A-homocholestan-4-one, (5alpha)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Aza-A-homocholestan-4-one, (5alpha)-?
The CAS number of 3-Aza-A-homocholestan-4-one, (5alpha)- is 20283-99-2.
What is the molecular formula of 3-Aza-A-homocholestan-4-one, (5alpha)-?
The molecular formula of 3-Aza-A-homocholestan-4-one, (5alpha)- is C27H47NO.
What is the molecular weight of 3-Aza-A-homocholestan-4-one, (5alpha)-?
The molecular weight of 3-Aza-A-homocholestan-4-one, (5alpha)- is 401.37 g/mol.
Where can I buy 3-Aza-A-homocholestan-4-one, (5alpha)-?
You can request a quote for 3-Aza-A-homocholestan-4-one, (5alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aza-A-homocholestan-4-one, (5alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Aza-A-homocholestan-4-one, (5alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.