A-alpha-Cao
TL;DR: A-alpha-Cao (CAS 123553-00-4) is a chemical compound with molecular formula C26H32Cl2N2O3 and molecular weight 490.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,6S,14S,19R)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-prop-2-enyl-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: A-alpha-Cao, N-Allyl-7-N,N-bis(beta-chloroethyl)amino-6,14-endoethenotetrahydronororipavine, (4S,7aS,12bS,14R)-14-[Bis(2-chloroethyl)amino]-7-methoxy-3-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol
| Molecular Formula | C26H32Cl2N2O3 |
|---|---|
| Molecular Weight | 490.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.179 |
| Heavy Atoms | 33 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 123553-00-4 |
|---|---|
| SMILES | COC12C=CC3(C[C@H]1N(CCCl)CCCl)[C@@H]4CC5=C6[C@]3([C@@H]2OC6=C(C=C5)O)CCN4CC=C |
| InChIKey | PGBSGMLHYQNYFB-AEKDGHRRSA-N |
Product Overview
A-alpha-Cao (CAS 123553-00-4), with molecular formula C26H32Cl2N2O3 and molecular weight 490.18 g/mol. IUPAC: (2S,6S,14S,19R)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-prop-2-enyl-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 A-alpha-Cao
Property Insights of A-alpha-Cao
The XLogP value of 4.0 indicates that A-alpha-Cao is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, A-alpha-Cao exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-alpha-Cao 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 A-alpha-Cao?
The CAS number of A-alpha-Cao is 123553-00-4.
What is the molecular formula of A-alpha-Cao?
The molecular formula of A-alpha-Cao is C26H32Cl2N2O3.
What is the molecular weight of A-alpha-Cao?
The molecular weight of A-alpha-Cao is 490.18 g/mol.
Where can I buy A-alpha-Cao?
You can request a quote for A-alpha-Cao directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-alpha-Cao?
Yes, KEHONG BIO provides custom synthesis services for A-alpha-Cao and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.