DECHLORANE 602
TL;DR: DECHLORANE 602 (CAS 31107-44-5) is a chemical compound with molecular formula C14H4Cl12O and molecular weight 607.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,11,12,13,14,14,15,15-dodecachloro-9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene
Also Known As: DECHLORANE 602, 1,2,3,4,6,7,8,9,10,10,11,11-Dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4:6,9-dimethanodibenzofuran, 1,4,5,6,7,11,12,13,14,14,15,15-dodecachloro-9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene, 1,4:6,9-Dimethanodibenzofuran, 1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-, 1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4
| Molecular Formula | C14H4Cl12O |
|---|---|
| Molecular Weight | 607.65 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 613.6436 |
| Heavy Atoms | 27 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 31107-44-5 |
|---|---|
| SMILES | C12C3C(C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)OC1C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | CDBKZZACXQLFMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DECHLORANE 602 (CAS 31107-44-5), with molecular formula C14H4Cl12O and molecular weight 607.65 g/mol. IUPAC: 1,4,5,6,7,11,12,13,14,14,15,15-dodecachloro-9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene.
Chemical Property Profile of DECHLORANE 602
Property Insights of DECHLORANE 602
The XLogP value of 6.0 indicates that DECHLORANE 602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, DECHLORANE 602 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DECHLORANE 602 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DECHLORANE 602?
The CAS number of DECHLORANE 602 is 31107-44-5.
What is the molecular formula of DECHLORANE 602?
The molecular formula of DECHLORANE 602 is C14H4Cl12O.
What is the molecular weight of DECHLORANE 602?
The molecular weight of DECHLORANE 602 is 607.65 g/mol.
Where can I buy DECHLORANE 602?
You can request a quote for DECHLORANE 602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DECHLORANE 602?
Yes, KEHONG BIO provides custom synthesis services for DECHLORANE 602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.