7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine
TL;DR: 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine (CAS 94859-17-3) is a chemical compound with molecular formula C24H30Cl2N2O3 and molecular weight 464.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,6R,14R,19S)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Also Known As: alpha-Cao, 7-(N,N-Bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine, (4R,7aR,12bS,14S)-14-[Bis(2-chloroethyl)amino]-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol, 14-[Bis(2-chloroethyl)amino]-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol, RefChem:105744
| Molecular Formula | C24H30Cl2N2O3 |
|---|---|
| Molecular Weight | 464.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.16336 |
| Heavy Atoms | 31 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 94859-17-3 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4C5(C=CC2([C@H]1CC6=C3C(=C(C=C6)O)O4)C[C@@H]5N(CCCl)CCCl)OC |
| InChIKey | YKAIJSHGJPXTDY-CBDGTLMLSA-N |
Product Overview
7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine (CAS 94859-17-3), with molecular formula C24H30Cl2N2O3 and molecular weight 464.16 g/mol. IUPAC: (2S,6R,14R,19S)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol.
Chemical Property Profile of 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine
Property Insights of 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine
The XLogP value of 3.3 indicates that 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine has 1 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 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine?
The CAS number of 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine is 94859-17-3.
What is the molecular formula of 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine?
The molecular formula of 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine is C24H30Cl2N2O3.
What is the molecular weight of 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine?
The molecular weight of 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine is 464.16 g/mol.
Where can I buy 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine?
You can request a quote for 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine?
Yes, KEHONG BIO provides custom synthesis services for 7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.