CCRIS 6872
TL;DR: CCRIS 6872 (CAS 7505-48-8) is a chemical compound with molecular formula C31H44Cl2N2O4 and molecular weight 578.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl) 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
Also Known As: 10a,12a-dimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl{4-[bis(2-chloroethyl)amino]phenoxy}acetate, (10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl) 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate, 17a-Aza-D-homoandrostan-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenoxy)acetyl)oxy)-, (3beta,5alpha)-, 3beta-Hydroxy-13alpha-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam-p-N,N-bis(2-chloroethyl)aminophenoxyacetate
| Molecular Formula | C31H44Cl2N2O4 |
|---|---|
| Molecular Weight | 578.27 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.2678 |
| Heavy Atoms | 39 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 7505-48-8 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC(=O)N4)C)OC(=O)COC5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | YMLNFFIBJFJMPJ-UHFFFAOYSA-N |
Product Overview
CCRIS 6872 (CAS 7505-48-8), with molecular formula C31H44Cl2N2O4 and molecular weight 578.27 g/mol. IUPAC: (10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl) 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate.
Chemical Property Profile of CCRIS 6872
Property Insights of CCRIS 6872
The XLogP value of 6.7 indicates that CCRIS 6872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 6872. Following Lipinski's Rule of Five, CCRIS 6872 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CCRIS 6872?
The CAS number of CCRIS 6872 is 7505-48-8.
What is the molecular formula of CCRIS 6872?
The molecular formula of CCRIS 6872 is C31H44Cl2N2O4.
What is the molecular weight of CCRIS 6872?
The molecular weight of CCRIS 6872 is 578.27 g/mol.
Where can I buy CCRIS 6872?
You can request a quote for CCRIS 6872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 6872?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 6872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.