HAHA-Chlorambucil
TL;DR: HAHA-Chlorambucil (CAS 99876-94-5) is a chemical compound with molecular formula C33H46Cl2N2O3 and molecular weight 588.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: Haha-chlorambucil, DAL 16, [(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, 17-Hydroxy-3-aza-A-homo-4-androsten-4-one (4-(bis(2-chloroethyl)amino)phenyl)butyrate, 3-Aza-A-homoandrost-4a-en-4-one, 17-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (17beta)-
| Molecular Formula | C33H46Cl2N2O3 |
|---|---|
| Molecular Weight | 588.29 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 588.2886 |
| Heavy Atoms | 40 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 99876-94-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=CC(=O)NCC[C@]35C |
| InChIKey | KXMXWVJKEUSIIB-ODNAPOIPSA-N |
Product Overview
HAHA-Chlorambucil (CAS 99876-94-5), with molecular formula C33H46Cl2N2O3 and molecular weight 588.29 g/mol. IUPAC: [(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of HAHA-Chlorambucil
Property Insights of HAHA-Chlorambucil
The XLogP value of 7.0 indicates that HAHA-Chlorambucil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, HAHA-Chlorambucil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, HAHA-Chlorambucil has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of HAHA-Chlorambucil?
The CAS number of HAHA-Chlorambucil is 99876-94-5.
What is the molecular formula of HAHA-Chlorambucil?
The molecular formula of HAHA-Chlorambucil is C33H46Cl2N2O3.
What is the molecular weight of HAHA-Chlorambucil?
The molecular weight of HAHA-Chlorambucil is 588.29 g/mol.
Where can I buy HAHA-Chlorambucil?
You can request a quote for HAHA-Chlorambucil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HAHA-Chlorambucil?
Yes, KEHONG BIO provides custom synthesis services for HAHA-Chlorambucil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.