AR-1C1132
TL;DR: AR-1C1132 (CAS 89083-85-2) is a chemical compound with molecular formula C24H32ClN3O5 and molecular weight 477.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Also Known As: N-(2-Chloroethyl)-N-nitrosocarbamoyl-L-alanine-estradiol-3-ester, 17-hydroxyestra-1,3,5(10)-trien-3-yl n-[(2-chloroethyl)(nitroso)carbamoyl]alaninate, (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate, L-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, (17-beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl ester, N-(2-Chloroethyl)-N'-(1-{[17-hydroxyestra-1(10),2,4-trien-3-yl]oxy}-1-oxopropan-2-yl)-N-nitrosocarbamimidic acid
| Molecular Formula | C24H32ClN3O5 |
|---|---|
| Molecular Weight | 477.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.20306 |
| Heavy Atoms | 33 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 89083-85-2 |
|---|---|
| SMILES | CC(C(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)C)NC(=O)N(CCCl)N=O |
| InChIKey | VCHIMDQFARCAGF-UHFFFAOYSA-N |
Product Overview
AR-1C1132 (CAS 89083-85-2), with molecular formula C24H32ClN3O5 and molecular weight 477.20 g/mol. IUPAC: (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate.
Chemical Property Profile of AR-1C1132
Property Insights of AR-1C1132
The XLogP value of 3.4 indicates that AR-1C1132 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AR-1C1132. Following Lipinski's Rule of Five, AR-1C1132 has 2 hydrogen bond donor(s) and 6 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 AR-1C1132?
The CAS number of AR-1C1132 is 89083-85-2.
What is the molecular formula of AR-1C1132?
The molecular formula of AR-1C1132 is C24H32ClN3O5.
What is the molecular weight of AR-1C1132?
The molecular weight of AR-1C1132 is 477.20 g/mol.
Where can I buy AR-1C1132?
You can request a quote for AR-1C1132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-1C1132?
Yes, KEHONG BIO provides custom synthesis services for AR-1C1132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.