C38H47NO2
TL;DR: C38H47NO2 (CAS 70776-87-3) is a chemical compound with molecular formula C38H47NO2 and molecular weight 549.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
Also Known As: 3,3'-(abieta-8,11,13-trien-18-ylimino)bis(1-phenylpropan-1-one), [1R-(1alpha,4abeta,10aalpha)]-3,3'-[[[1,2,3,4,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthryl]methyl]imino]bispropiophenone, 1-Propanone, 3,3'-((((1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)imino)bis(1-phenyl-, 1-Propanone, 3,3'-[[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]imino]bis[1-phenyl-, 1-Propanone, 3,3'-[[[1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]imino]bis[1-phenyl-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
| Molecular Formula | C38H47NO2 |
|---|---|
| Molecular Weight | 549.36 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 549.36066 |
| Heavy Atoms | 41 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 70776-87-3 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN(CCC(=O)C4=CC=CC=C4)CCC(=O)C5=CC=CC=C5)C |
| InChIKey | KHOPCXLSEXHGOA-UHFFFAOYSA-N |
Product Overview
C38H47NO2 (CAS 70776-87-3), with molecular formula C38H47NO2 and molecular weight 549.36 g/mol. IUPAC: 3-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one.
Chemical Property Profile of C38H47NO2
Property Insights of C38H47NO2
The XLogP value of 9.0 indicates that C38H47NO2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, C38H47NO2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C38H47NO2 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C38H47NO2?
The CAS number of C38H47NO2 is 70776-87-3.
What is the molecular formula of C38H47NO2?
The molecular formula of C38H47NO2 is C38H47NO2.
What is the molecular weight of C38H47NO2?
The molecular weight of C38H47NO2 is 549.36 g/mol.
Where can I buy C38H47NO2?
You can request a quote for C38H47NO2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C38H47NO2?
Yes, KEHONG BIO provides custom synthesis services for C38H47NO2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.