3-(Cholamidopropyl)-1,1-dimethamine
TL;DR: 3-(Cholamidopropyl)-1,1-dimethamine (CAS 76555-98-1) is a chemical compound with molecular formula C29H52N2O4 and molecular weight 492.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide
Also Known As: 3-(Cholamidopropyl)-1,1-dimethamine, (4R)-N-[3-(dimethylamino)propyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide, N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide
| Molecular Formula | C29H52N2O4 |
|---|---|
| Molecular Weight | 492.39 g/mol |
| LogP | 3.432 |
| Topological Polar Surface Area | 93.03 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.3927 |
| Heavy Atoms | 35 |
| Complexity | 746.1934 |
Chemical Identifiers
| CAS Number | 76555-98-1 |
|---|---|
| SMILES | CC(CCC(=O)NCCCN(C)C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
Product Overview
3-(Cholamidopropyl)-1,1-dimethamine (CAS 76555-98-1), with molecular formula C29H52N2O4 and molecular weight 492.39 g/mol. IUPAC: N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide.
Chemical Property Profile of 3-(Cholamidopropyl)-1,1-dimethamine
Property Insights of 3-(Cholamidopropyl)-1,1-dimethamine
The XLogP value of 3.432 indicates that 3-(Cholamidopropyl)-1,1-dimethamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Cholamidopropyl)-1,1-dimethamine. Following Lipinski's Rule of Five, 3-(Cholamidopropyl)-1,1-dimethamine has 4 hydrogen bond donor(s) and 5 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 3-(Cholamidopropyl)-1,1-dimethamine?
The CAS number of 3-(Cholamidopropyl)-1,1-dimethamine is 76555-98-1.
What is the molecular formula of 3-(Cholamidopropyl)-1,1-dimethamine?
The molecular formula of 3-(Cholamidopropyl)-1,1-dimethamine is C29H52N2O4.
What is the molecular weight of 3-(Cholamidopropyl)-1,1-dimethamine?
The molecular weight of 3-(Cholamidopropyl)-1,1-dimethamine is 492.39 g/mol.
Where can I buy 3-(Cholamidopropyl)-1,1-dimethamine?
You can request a quote for 3-(Cholamidopropyl)-1,1-dimethamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Cholamidopropyl)-1,1-dimethamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cholamidopropyl)-1,1-dimethamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.